UCSF

ZINC40765387

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.32 7.22 -46.63 2 4 1 46 221.328 3
Mid Mid (pH 6-8) 1.32 7.6 -89.89 3 4 2 47 222.336 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )