UCSF

ZINC11805349

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2008 12 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) -0.56 1.18 -50.17 4 4 1 70 166.204 2
Lo Low (pH 4.5-6) -0.56 0.96 -94.95 5 4 2 71 167.212 2

Activity (Go SEA)

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