UCSF

ZINC44830178

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 26 Yes

Popular Name: 1-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxo-ethyl]cyclohexanecarboxylic 1-[2-[4-(1,1-dioxo-1,2-thiazolid…

Find On: PubMed — Wikipedia — Google

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) 2.23 6.67 -68.89 1 7 -1 107 379.458 5 ↓
Lo Low (pH 4.5-6) 2.23 4.56 -24.51 2 7 0 104 380.466 5 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.