UCSF

ZINC06786277

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 26 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) 1.65 4.71 -63.36 0 7 -1 92 356.354 7
Mid Mid (pH 6-8) 2.10 0.96 -16.99 1 7 0 89 357.362 6
Mid Mid (pH 6-8) 1.07 0.88 -12.79 0 7 0 86 357.362 7

Activity (Go SEA)

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