UCSF

ZINC42451665

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 13 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) 1.20 1.87 -39.91 2 3 1 29 187.307 4
Lo Low (pH 4.5-6) 1.20 4.03 -111.1 3 3 2 30 188.315 4

Activity (Go SEA)

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