UCSF

ZINC37825868

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 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) 0.30 4.3 -52.58 3 4 1 72 212.317 7
Mid Mid (pH 6-8) 0.30 4.02 -10.37 2 4 0 70 211.309 7

Activity (Go SEA)

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