UCSF

ZINC37796849

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 15 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) -0.44 4.18 -108.74 1 6 -2 109 213.189 6
Lo Low (pH 4.5-6) -0.44 3.02 -52.56 2 6 -1 107 214.197 6

Activity (Go SEA)

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