| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2004 | 15 | No |
Popular Name: 1-(3-bromopropyl)-1H-indole-2,3-dione 1-(3-bromopropyl)-1H-indole-2,3-…
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CAS Number: 320741-36-4
| 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) | 1.91 | 0.37 | -11.94 | 0 | 3 | 0 | 39 | 268.11 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81247-1-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other | Other | 7770 | 0.48 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 7770 | 0.48 | Functional ≤ 10μM |
