| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2008 | 13 | Yes |
Popular Name: 6,7-dichloro-1H-indole-2,3-dione 6,7-dichloro-1H-indole-2,3-dione
Find On: PubMed — Wikipedia — Google
CAS Number: 18711-12-1
| 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) | 2.09 | 2.93 | -6.56 | 1 | 3 | 0 | 50 | 216.023 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 203 - 205 | Enamine Building Blocks |
| MP | 203...205 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EST1-1-E | Carboxylesterase (cluster #1 Of 7), Eukaryotic | Eukaryotes | 9400 | 0.54 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EST1_HUMAN | P23141 | Acyl Coenzyme A:cholesterol Acyltransferase, Human | 9400 | 0.54 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.