UCSF

ZINC23249249

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 24 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) 0.96 5.7 -44.28 2 6 1 57 353.874 5
Hi High (pH 8-9.5) 0.96 5.73 -40.75 2 6 1 57 353.874 5
Hi High (pH 8-9.5) 0.96 3.49 -14.66 1 6 0 56 352.866 5

Activity (Go SEA)

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