| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 6th, 2010 | 22 | No |
Popular Name: 2-chloro-N-ethyl-N-(4-methoxyphenyl)quinazolin-4-amine 2-chloro-N-ethyl-N-(4-methoxyphe…
None
| 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) | 4.89 | 9.16 | -10.5 | 0 | 4 | 0 | 38 | 313.788 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80712-7-O | T47D (Breast Carcinoma Cells) (cluster #7 Of 7), Other | Other | 39 | 0.47 | Functional ≤ 10μM |
| Z80928-2-O | HCT-116 (Colon Carcinoma Cells) (cluster #2 Of 9), Other | Other | 49 | 0.47 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 49 | 0.47 | Functional ≤ 10μM |
| Z80712 | Z80712 | T47D (Breast Carcinoma Cells) | 39 | 0.47 | Functional ≤ 10μM |
