UCSF

ZINC20054320

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 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) 0.53 2.65 -32.95 2 3 1 26 187.307 6
Mid Mid (pH 6-8) 0.53 1.68 -37.56 2 3 1 29 187.307 6
Mid Mid (pH 6-8) 0.53 4.06 -104.55 3 3 2 30 188.315 6

Activity (Go SEA)

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