| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 29th, 2008 | 23 | Yes |
Popular Name: (6E)-6-[4-(isopropylamino)-1H-quinazolin-2-ylidene]-2-methoxy-cyclohexa-2,4-dien-1-one (6E)-6-[4-(isopropylamino)-1H-qu…
| 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) | 3.85 | 8.13 | -62.88 | 1 | 5 | -1 | 70 | 308.361 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.85 | 7.22 | -12.82 | 2 | 5 | 0 | 67 | 309.369 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.59 | 8.23 | -135.62 | 4 | 5 | 2 | 73 | 311.385 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.85 | 8.39 | -43.92 | 2 | 5 | 0 | 71 | 309.369 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.85 | 7.57 | -25.8 | 3 | 5 | 1 | 69 | 310.377 | 4 | ↓ |
