| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2008 | 19 | Yes |
Popular Name: 5-methyl-2,4-diphenyl-1,2-dihydro-3H-pyrazol-3-one 5-methyl-2,4-diphenyl-1,2-dihydr…
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CAS Number: 79481-69-9
| 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) | 3.05 | 8.69 | -15.45 | 1 | 3 | 0 | 38 | 250.301 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.51 | 6.69 | -7.89 | 1 | 3 | 0 | 38 | 250.301 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 205 - 206 | KeyOrganics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81138-2-O | ScN2a (Scrapie-infected Neuroblastoma Cells) (cluster #2 Of 3), Other | Other | 40 | 0.55 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81138 | Z81138 | ScN2a (Scrapie-infected Neuroblastoma Cells) | 40 | 0.55 | Functional ≤ 10μM |
