| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 10th, 2011 | 29 | No |
Popular Name: 5-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]benzene-1,2,3-triol 5-[4-(1,3-benzodioxol-5-ylamino)…
| 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) | 4.40 | 3.55 | -16.18 | 4 | 8 | 0 | 117 | 389.367 | 3 | ↓ |
| 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 | 5500 | 0.25 | Functional ≤ 10μM |
| Z81072-6-O | Jurkat (Acute Leukemic T-cells) (cluster #6 Of 10), Other | Other | 800 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81072 | Z81072 | Jurkat (Acute Leukemic T-cells) | 800 | 0.29 | Functional ≤ 10μM |
| Z100081 | Z100081 | PBMC (Peripheral Blood Mononuclear Cells) | 5500 | 0.25 | Functional ≤ 10μM |
