UCSF

ZINC05171184

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2006 26 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) 5.56 9.87 -52.96 1 5 -1 85 367.45 7
Lo Low (pH 4.5-6) 5.56 7.89 -13.18 2 5 0 82 368.458 7

Activity (Go SEA)

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