UCSF

ZINC44514287

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 17 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) -0.84 3.29 -132.05 4 5 1 85 239.295 3
Lo Low (pH 4.5-6) -0.84 2.42 -125.21 5 5 2 83 240.303 3

Activity (Go SEA)

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