| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 11th, 2009 | 25 | Yes |
Popular Name: TAS-103 TAS-103
None
| 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) | 3.16 | 8.05 | -44.3 | 3 | 5 | 1 | 67 | 334.399 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.16 | 9.13 | -57.12 | 2 | 5 | 0 | 69 | 333.391 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.16 | 6.6 | -46.95 | 1 | 5 | -1 | 68 | 332.383 | 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 | 33 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 33 | 0.42 | Functional ≤ 10μM |
