UCSF

ZINC47225571

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 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) 1.54 6.65 -10.4 1 4 0 45 231.299 3
Mid Mid (pH 6-8) 1.54 6.77 -30.01 2 4 1 46 232.307 3

Activity (Go SEA)

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