UCSF

ZINC05133869

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 28 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) -0.37 -8.44 -32.85 4 10 0 139 400.476 0
Hi High (pH 8-9.5) -0.37 -8.11 -73.11 3 10 -1 142 399.468 0
Hi High (pH 8-9.5) -0.37 -7.78 -122.44 2 10 -2 144 398.46 0

Activity (Go SEA)

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