UCSF

ZINC41675976

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) -0.20 1.78 -91.27 5 6 2 81 296.481 11
Hi High (pH 8-9.5) -0.20 1.44 -84.52 4 6 1 84 295.473 11

Activity (Go SEA)

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