UCSF

ZINC28918541

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 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) 2.89 10.54 -57.33 1 3 1 52 288.802 5
Mid Mid (pH 6-8) 2.89 8.57 -11.7 0 3 0 51 287.794 5

Activity (Go SEA)

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