UCSF

ZINC45023357

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2010 18 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) 0.94 5.84 -34.6 2 4 1 42 246.334 2
Hi High (pH 8-9.5) 0.94 4.05 -26.39 2 4 1 42 246.334 2
Hi High (pH 8-9.5) 0.94 3.61 -10.31 1 4 0 41 245.326 2

Activity (Go SEA)

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