| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 10th, 2011 | 29 | No |
Popular Name: 5-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]benzene-1,2,3-triol 5-[4-[(4-methoxyphenyl)methylami…
| 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) | 3.83 | 4.38 | -33.89 | 5 | 7 | 1 | 109 | 390.419 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.83 | 4.05 | -15.4 | 4 | 7 | 0 | 108 | 389.411 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100081-1-O | PBMC (Peripheral Blood Mononuclear Cells) (cluster #1 Of 4), Other | Other | 3260 | 0.26 | Functional ≤ 10μM |
| Z81072-1-O | Jurkat (Acute Leukemic T-cells) (cluster #1 Of 10), Other | Other | 5430 | 0.25 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81072 | Z81072 | Jurkat (Acute Leukemic T-cells) | 5430 | 0.25 | Functional ≤ 10μM |
| Z100081 | Z100081 | PBMC (Peripheral Blood Mononuclear Cells) | 3260 | 0.26 | Functional ≤ 10μM |
