| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 17 | Yes |
Popular Name: 1-phenyl-1H-indole-2,3-dione 1-phenyl-1H-indole-2,3-dione
Find On: PubMed — Wikipedia — Google
CAS Numbers: 723-89-7 , 732-89-7 , [723-89-7]
| 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) | 2.17 | 7.45 | -10.93 | 0 | 3 | 0 | 39 | 223.231 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 138-140 °C(lit.) | Indofine |
| Melting_Point | 139-142? | Alfa-Aesar |
| Melting_Point | 139-142° | Alfa-Aesar |
| MP | 140-141o C | Indofine |
| melting_point | 141 - 143 | KeyOrganics |
| MP | 141.5-143° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| SOLUBILITY | Soluble in Chloroform | Indofine |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EST1-1-E | Carboxylesterase (cluster #1 Of 7), Eukaryotic | Eukaryotes | 23 | 0.63 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EST1_HUMAN | P23141 | Acyl Coenzyme A:cholesterol Acyltransferase, Human | 23 | 0.63 | Binding ≤ 1μM |
| EST1_HUMAN | P23141 | Acyl Coenzyme A:cholesterol Acyltransferase, Human | 23 | 0.63 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.