UCSF

ZINC05945838

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 28 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) 2.00 4.24 -20.69 3 10 0 149 401.766 5
Ref Reference (pH 7) 2.00 4.37 -18.63 3 10 0 149 401.766 5
Mid Mid (pH 6-8) 2.46 2.36 -44.84 2 10 -1 152 400.758 5
Mid Mid (pH 6-8) 2.46 2.62 -38.88 2 10 -1 152 400.758 5

Activity (Go SEA)

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