UCSF

ZINC40103369

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 30 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) 4.54 11.88 -47.15 2 5 1 40 427.638 6
Mid Mid (pH 6-8) 4.54 14.1 -108.88 3 5 2 41 428.646 6

Activity (Go SEA)

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