UCSF

ZINC05394207

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 19 No

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) 0.93 7.03 -17.46 0 4 0 50 254.289 1
Lo Low (pH 4.5-6) 0.93 7.31 -32.41 1 4 1 52 255.297 1

Activity (Go SEA)

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