| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 20 | Yes |
Popular Name: 4-(Methyl(2-methylquinazolin-4-yl)amino)phenol 4-(Methyl(2-methylquinazolin-4-y…
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CAS Number: 827031-26-5
| 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) | 3.07 | 6.74 | -30.18 | 2 | 4 | 1 | 50 | 266.324 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.07 | 6.33 | -10.45 | 1 | 4 | 0 | 49 | 265.316 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80712-7-O | T47D (Breast Carcinoma Cells) (cluster #7 Of 7), Other | Other | 86 | 0.49 | Functional ≤ 10μM |
| Z80928-5-O | HCT-116 (Colon Carcinoma Cells) (cluster #5 Of 9), Other | Other | 130 | 0.48 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 130 | 0.48 | Functional ≤ 10μM |
| Z80712 | Z80712 | T47D (Breast Carcinoma Cells) | 86 | 0.49 | Functional ≤ 10μM |
