UCSF

ZINC42459366

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) -0.54 2.91 -86.73 5 5 2 78 210.281 5
Hi High (pH 8-9.5) -0.54 2.94 -30.34 4 5 1 76 209.273 5
Hi High (pH 8-9.5) -0.54 2.6 -35.8 4 5 1 77 209.273 5

Activity (Go SEA)

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