UCSF

ZINC34742330

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2009 10 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) 1.53 6.24 -25.95 1 2 1 19 139.222 3
Mid Mid (pH 6-8) 1.53 5.89 -6.26 0 2 0 18 138.214 3

Activity (Go SEA)

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