UCSF

ZINC69511917

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 22 Yes

Popular Name: N-[(3R)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-2-imidazo[1,2-a]pyridin-2-yl-acetamide N-[(3R)-2,5-dioxopyrrolidin-3-yl…

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) 0.18 2.27 -71.28 0 7 -1 90 299.31 4 ↓
Mid Mid (pH 6-8) 0.18 2.57 -59.09 1 7 0 91 300.318 4 ↓
Mid Mid (pH 6-8) -0.01 4.82 -26.24 1 7 0 84 300.318 4 ↓
Mid Mid (pH 6-8) -0.01 4.82 -23.47 1 7 0 84 300.318 4 ↓
Mid Mid (pH 6-8) 0.18 2.57 -58.01 1 7 0 91 300.318 4 ↓
Lo Low (pH 4.5-6) -0.01 5.12 -39.62 2 7 1 85 301.326 4 ↓
Lo Low (pH 4.5-6) -0.01 5.11 -38.77 2 7 1 85 301.326 4 ↓

Activity (Go SEA)

Rings

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

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