| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2010 | 24 | Yes |
Popular Name: N-(3-chloro-4-fluoro-phenyl)-8,9-dihydro-7H-[1,4]dioxepino[2,3-g]quinazolin-4-amine N-(3-chloro-4-fluoro-phenyl)-8,9…
| 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) | 4.18 | 9.26 | -9.06 | 1 | 5 | 0 | 56 | 345.761 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z103205-1-O | A431 (cluster #1 Of 4), Other | Other | 7130 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z103205 | Z103205 | A431 | 7130 | 0.30 | Functional ≤ 10μM |
