UCSF

ZINC53657021

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 20 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) 4.14 8.21 -37.08 2 2 1 20 295.878 5
Mid Mid (pH 6-8) 4.14 10.43 -104.47 3 2 2 21 296.886 5

Activity (Go SEA)

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