UCSF

ZINC05248572

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2006 25 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) -0.45 2.11 -15.06 4 10 0 138 344.331 5
Mid Mid (pH 6-8) -0.45 2.63 -39.81 5 10 1 139 345.339 5

Activity (Go SEA)

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