| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 31st, 2010 | 27 | Yes |
Popular Name: 3-hydroxy-6-(2-pyrrolidin-1-ylethylamino)indeno[2,1-c]quinolin-7-one 3-hydroxy-6-(2-pyrrolidin-1-ylet…
| 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) | 3.56 | 8.34 | -38.57 | 3 | 5 | 1 | 67 | 360.437 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.56 | 9.11 | -59.91 | 2 | 5 | 0 | 69 | 359.429 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80156-2-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #2 Of 12), Other | Other | 88 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 88 | 0.37 | Functional ≤ 10μM |
