UCSF

ZINC34823185

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 16 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) 1.44 7.39 -94.54 3 3 2 24 221.348 3
Mid Mid (pH 6-8) 1.44 5.01 -36.52 2 3 1 23 220.34 3

Activity (Go SEA)

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