UCSF

ZINC43445218

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 15 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) -0.78 -0.12 -91.54 5 4 2 56 217.357 7
Hi High (pH 8-9.5) -0.78 -2.39 -44.68 4 4 1 54 216.349 7

Activity (Go SEA)

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