UCSF

ZINC06786038

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) 1.39 3.72 -62.89 1 7 -1 103 356.354 7
Mid Mid (pH 6-8) 1.83 -1.19 -21.15 2 7 0 100 357.362 6
Mid Mid (pH 6-8) 0.80 -1.37 -13.84 1 7 0 97 357.362 7

Activity (Go SEA)

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