UCSF

ZINC05942032

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 24 Yes

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) 3.29 3.02 -52.01 1 6 -1 86 356.305 5
Mid Mid (pH 6-8) 3.29 2.79 -10.89 2 6 0 84 357.313 5
Mid Mid (pH 6-8) 3.29 2.93 -13.72 2 6 0 84 357.313 5
Mid Mid (pH 6-8) 3.29 2.87 -41.78 1 6 -1 86 356.305 5

Activity (Go SEA)

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