| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 29th, 2008 | 26 | Yes |
Popular Name: (7R)-5-(2-thienyl)-7-(3,4,5-trimethoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (7R)-5-(2-thienyl)-7-(3,4,5-trim…
| 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) | 2.63 | 10.25 | -15.8 | 0 | 7 | 0 | 71 | 370.434 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.63 | 10.66 | -40.01 | 1 | 7 | 1 | 72 | 371.442 | 5 | ↓ |
| 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 | 780 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 100 | 0.38 | Functional ≤ 10μM |
