| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2004 | 22 | No |
Popular Name: 2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)-N-(3-methylphenyl)acetamide 2-(2,3-dioxo-2,3-dihydro-1H-indo…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 301819-40-9 , N/A
| 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) | 2.13 | 0.57 | -18.55 | 1 | 5 | 0 | 68 | 294.31 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EST1-1-E | Carboxylesterase (cluster #1 Of 7), Eukaryotic | Eukaryotes | 4350 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EST1_HUMAN | P23141 | Acyl Coenzyme A:cholesterol Acyltransferase, Human | 4350 | 0.34 | Binding ≤ 10μM |
