UCSF

ZINC39281738

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 23 No

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) -0.45 7.74 -73.61 3 9 0 129 338.345 6
Hi High (pH 8-9.5) -0.45 7.25 -63.19 2 9 -1 127 337.337 6

Activity (Go SEA)

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