UCSF

ZINC40920886

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 16 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) -0.24 -0.02 -44.84 4 5 1 77 228.316 2
Hi High (pH 8-9.5) -0.24 0.49 -12.03 3 5 0 75 227.308 2

Activity (Go SEA)

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