| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2005 | 13 | Yes |
Popular Name: 4,5-Dichloroindoline-2,3-dione 4,5-Dichloroindoline-2,3-dione
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1677-47-0 , [1677-47-0]
| 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 | -1.09 | -10.86 | 1 | 3 | 0 | 50 | 216.023 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EST1-1-E | Carboxylesterase (cluster #1 Of 7), Eukaryotic | Eukaryotes | 3020 | 0.59 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EST1_HUMAN | P23141 | Acyl Coenzyme A:cholesterol Acyltransferase, Human | 3020 | 0.59 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.