UCSF

ZINC33761949

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 37 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) 4.85 12.25 -61.05 0 7 -1 92 496.539 10
Mid Mid (pH 6-8) 4.85 11.43 -15.56 1 7 0 89 497.547 10

Activity (Go SEA)

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