UCSF

ZINC40417042

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 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) 3.96 7.53 -8.15 0 2 0 18 222.719 1
Lo Low (pH 4.5-6) 3.96 7.93 -25.01 1 2 1 19 223.727 1

Activity (Go SEA)

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