| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 20 | Yes |
Popular Name: N4-(4-chlorophenethyl)-5-methylthieno[2,3-d]pyrimidin-4-amine N4-(4-chlorophenethyl)-5-methylt…
| 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) | 4.14 | -1.19 | -9.46 | 1 | 3 | 0 | 37 | 303.818 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80156-9-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #9 Of 12), Other | Other | 9 | 0.56 | Functional ≤ 10μM |
| Z80362-6-O | P388 (Lymphoma Cells) (cluster #6 Of 8), Other | Other | 5 | 0.58 | Functional ≤ 10μM |
| Z81244-1-O | J774 (Macrophage Cells) (cluster #1 Of 1), Other | Other | 5 | 0.58 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 8.5 | 0.56 | Functional ≤ 10μM |
| Z81244 | Z81244 | J774 (Macrophage Cells) | 5 | 0.58 | Functional ≤ 10μM |
| Z80362 | Z80362 | P388 (Lymphoma Cells) | 5.2 | 0.58 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.