UCSF

ZINC31091762

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2009 22 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) 3.55 7.08 -14.65 1 4 0 51 292.338 3
Lo Low (pH 4.5-6) 3.55 7.48 -44.18 2 4 1 52 293.346 3

Activity (Go SEA)

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