| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 29th, 2008 | 24 | Yes |
Popular Name: (6E)-6-[4-(tert-butylamino)-1H-quinazolin-2-ylidene]-2-methoxy-cyclohexa-2,4-dien-1-one (6E)-6-[4-(tert-butylamino)-1H-q…
| 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) | 4.36 | 9.14 | -62.05 | 1 | 5 | -1 | 70 | 322.388 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.36 | 8.22 | -12.09 | 2 | 5 | 0 | 67 | 323.396 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.10 | 8.82 | -131.3 | 4 | 5 | 2 | 73 | 325.412 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.36 | 8.76 | -25.12 | 3 | 5 | 1 | 69 | 324.404 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.36 | 9.1 | -43.17 | 2 | 5 | 0 | 71 | 323.396 | 4 | ↓ |
