UCSF

ZINC05394076

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 15 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) 3.81 7.93 -6.4 0 1 0 13 197.281 0
Lo Low (pH 4.5-6) 3.81 8.2 -24.43 1 1 1 14 198.289 0

Activity (Go SEA)

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