UCSF

ZINC37038093

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 0.40 0.89 -45.38 4 5 1 63 271.429 7
Lo Low (pH 4.5-6) 0.40 2.8 -104.8 5 5 2 64 272.437 7

Activity (Go SEA)

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