UCSF

ZINC19865136

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 16 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) 0.66 0.72 -4.46 0 4 0 25 248.754 4
Mid Mid (pH 6-8) 0.66 2.99 -38.27 1 4 1 26 249.762 4

Activity (Go SEA)

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