| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 20th, 2008 | 16 | Yes |
Popular Name: 6-(benzenesulfonyl)-2,3-dihydropyridazin-3-one 6-(benzenesulfonyl)-2,3-dihydrop…
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CAS Number: 141060-78-8
| 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) | 1.66 | -1.29 | -46.21 | 0 | 5 | -1 | 83 | 235.244 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 182 - 184 | Enamine Building Blocks |
| MP | 182...184 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDR-1-E | Aldose Reductase (cluster #1 Of 5), Eukaryotic | Eukaryotes | 600 | 0.54 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDR_HUMAN | P15121 | Aldose Reductase, Human | 600 | 0.54 | Binding ≤ 1μM |
| ALDR_HUMAN | P15121 | Aldose Reductase, Human | 600 | 0.54 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Pregnenolone biosynthesis |
