UCSF

ZINC36170870

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 0.05 0.92 -81.78 4 4 2 45 217.357 5
Hi High (pH 8-9.5) 0.05 -1.31 -38.52 3 4 1 43 216.349 5
Hi High (pH 8-9.5) 0.05 -2.76 -2.99 2 4 0 39 215.341 5

Activity (Go SEA)

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