UCSF

ZINC38808861

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 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) 2.91 7.85 -122.32 4 2 2 32 236.403 7
Mid Mid (pH 6-8) 2.91 5.09 -43.37 3 2 1 31 235.395 7
Mid Mid (pH 6-8) 2.91 7.68 -28.47 3 2 1 30 235.395 7

Activity (Go SEA)

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