| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 16 | No |
Popular Name: 1,5-Bis-(2-thienyl)-1,4-pentadien-3-one 1,5-Bis-(2-thienyl)-1,4-pentadie…
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CAS Numbers: 155669-26-4 , 886-78-2
| 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) | 3.62 | 8.92 | -5.72 | 0 | 1 | 0 | 17 | 246.356 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 119 - 120 | KeyOrganics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81247-9-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #9 Of 9), Other | Other | 6200 | 0.46 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 6200 | 0.46 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.