UCSF

ZINC40951951

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 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) 3.54 7.87 -35.43 2 3 1 43 228.356 8
Hi High (pH 8-9.5) 3.54 6.5 -3.41 1 3 0 38 227.348 8

Activity (Go SEA)

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