| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2008 | 16 | Yes |
Popular Name: Cyano-(2-oxo-2,3-dihydro-1H-indol-3-yl)-acetic acid Cyano-(2-oxo-2,3-dihydro-1H-indo…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 54744-67-1 , [54744-67-1]
| 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) | 0.30 | 4.2 | -49.99 | 1 | 5 | -1 | 93 | 215.188 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDR-2-E | Aldose Reductase (cluster #2 Of 5), Eukaryotic | Eukaryotes | 850 | 0.53 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDR_RAT | P07943 | Aldose Reductase, Rat | 850 | 0.53 | Binding ≤ 1μM |
| ALDR_RAT | P07943 | Aldose Reductase, Rat | 850 | 0.53 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Pregnenolone biosynthesis |
