| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 29th, 2008 | 24 | Yes |
Popular Name: (6E)-2-methoxy-6-[4-(sec-butylamino)-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one (6E)-2-methoxy-6-[4-(sec-butylam…
| 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) | 4.39 | 9.02 | -62.71 | 1 | 5 | -1 | 70 | 322.388 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.39 | 8.11 | -12.58 | 2 | 5 | 0 | 67 | 323.396 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.13 | 9.05 | -134.19 | 4 | 5 | 2 | 73 | 325.412 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.39 | 9.28 | -43.58 | 2 | 5 | 0 | 71 | 323.396 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.39 | 8.46 | -25.81 | 3 | 5 | 1 | 69 | 324.404 | 5 | ↓ |
