| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 29th, 2008 | 23 | Yes |
Popular Name: (6E)-6-[4-(allylamino)-1H-quinazolin-2-ylidene]-2-methoxy-cyclohexa-2,4-dien-1-one (6E)-6-[4-(allylamino)-1H-quinaz…
| 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) | 3.82 | 7.87 | -62.1 | 1 | 5 | -1 | 70 | 306.345 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.82 | 6.96 | -12.6 | 2 | 5 | 0 | 67 | 307.353 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.56 | 8.69 | -140.8 | 4 | 5 | 2 | 73 | 309.369 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.82 | 7.3 | -11.12 | 3 | 5 | 0 | 69 | 308.361 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
