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Central Nervous System long description

Ligand ID

Ligand Name (or part of it)

PDB ID

Chemical Name (or part of it)

Lipinski's rules

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Veber's rules

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Total found: 0

Rotatable Bonds

Heavy Atoms

Simulated Charge

Molecular Weight (da)

HB donor

HB acceptor

Resolution (Å)

Closest conformer RMSd (Å)

Furthest conformer RMSd (Å)

Lowest energy conformer RMSd (Å)

ΔΔG lowest energy conformer (Kcal / mol)

Conformers RMSd range (Å)

ΔG energies before quantum optimization (Kcal / mol)

ΔG energies after quantum optimization (Kcal / mol)

Central Nervous System Public Database