UCSF

ZINC19837920

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) 3.55 6.6 -9.05 2 3 0 49 289.762 3
Mid Mid (pH 6-8) 3.55 7.26 -40.44 1 3 -1 52 288.754 3

Activity (Go SEA)

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