UCSF

ZINC43480182

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 16 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) 1.28 0.49 -60.44 3 4 1 71 264.754 5
Hi High (pH 8-9.5) 1.28 1.25 -73.15 2 4 0 74 263.746 5
Hi High (pH 8-9.5) 1.28 -0.87 -14.77 2 4 0 66 263.746 5

Activity (Go SEA)

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