UCSF

ZINC34468219

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 29 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) 3.56 11.83 -17.44 0 6 0 69 428.945 6
Mid Mid (pH 6-8) 3.56 12.71 -37.43 1 6 1 71 429.953 6

Activity (Go SEA)

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