UCSF

ZINC40389598

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 17 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) 2.46 9.22 -46.96 1 3 1 22 232.351 5
Mid Mid (pH 6-8) 2.46 9.51 -84.15 2 3 2 24 233.359 5

Activity (Go SEA)

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