UCSF

ZINC34547557

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 22 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) 4.78 9.71 -14.45 0 2 0 26 280.33 0
Lo Low (pH 4.5-6) 4.78 10.24 -32.54 1 2 1 27 281.338 0

Activity (Go SEA)

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