UCSF

ZINC05393941

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 16 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) 3.37 6.63 -6.62 0 2 0 22 213.28 1
Lo Low (pH 4.5-6) 3.37 6.89 -26.28 1 2 1 23 214.288 1

Activity (Go SEA)

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