UCSF

ZINC34574776

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 20 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) 1.82 -1.65 -15.33 4 6 0 107 274.228 0
Hi High (pH 8-9.5) 1.82 -0.87 -52.37 3 6 -1 110 273.22 0
Hi High (pH 8-9.5) 1.82 -0.72 -49.46 3 6 -1 110 273.22 0

Activity (Go SEA)

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