| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2006 | 21 | No |
Popular Name: 2-chloro-N-(4-methoxyphenyl)-N-methyl-quinazolin-4-amine 2-chloro-N-(4-methoxyphenyl)-N-m…
| 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) | 4.52 | 0.23 | -9.94 | 0 | 4 | 0 | 38 | 299.761 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80362-6-O | P388 (Lymphoma Cells) (cluster #6 Of 8), Other | Other | 2 | 0.58 | Functional ≤ 10μM |
| Z80712-7-O | T47D (Breast Carcinoma Cells) (cluster #7 Of 7), Other | Other | 2 | 0.58 | Functional ≤ 10μM |
| Z80928-5-O | HCT-116 (Colon Carcinoma Cells) (cluster #5 Of 9), Other | Other | 2 | 0.58 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 2 | 0.58 | Functional ≤ 10μM |
| Z80362 | Z80362 | P388 (Lymphoma Cells) | 2.1 | 0.58 | Functional ≤ 10μM |
| Z80712 | Z80712 | T47D (Breast Carcinoma Cells) | 2 | 0.58 | Functional ≤ 10μM |
