UCSF

ZINC13208090

Substance Information

In ZINC since Heavy atoms Benign functionality
June 11th, 2008 14 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) 2.96 4.84 -10.36 0 2 0 26 218.306 0
Lo Low (pH 4.5-6) 2.96 5.38 -81.95 2 2 2 28 220.322 0
Lo Low (pH 4.5-6) 2.96 5.12 -35.31 1 2 1 27 219.314 0

Activity (Go SEA)

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