UCSF

ZINC05393617

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 12 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) 2.12 5.39 -5.34 0 2 0 37 160.22 1
Lo Low (pH 4.5-6) 2.12 5.67 -36.68 1 2 1 38 161.228 1

Activity (Go SEA)

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