UCSF

ZINC45658171

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 13 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) 0.65 2.79 -111.74 4 3 2 42 188.315 5
Mid Mid (pH 6-8) 0.65 1.43 -37.83 3 3 1 38 187.307 5
Mid Mid (pH 6-8) 0.65 1.75 -37.71 3 3 1 38 187.307 5

Activity (Go SEA)

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