UCSF

ZINC36839251

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 11 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) -0.53 4.87 -31.37 2 3 0 57 155.197 5
Mid Mid (pH 6-8) -0.53 3.84 -43.83 1 3 -1 52 154.189 5

Activity (Go SEA)

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