UCSF

ZINC39247146

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 19 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) 3.68 9.56 -32.67 1 2 1 8 261.433 6
Hi High (pH 8-9.5) 3.68 7.6 -2.23 0 2 0 6 260.425 6
Hi High (pH 8-9.5) 3.68 9.86 -35.92 1 2 1 8 261.433 6

Activity (Go SEA)

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