| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 29th, 2008 | 25 | Yes |
Popular Name: (6E)-6-[4-(3-pyridylmethylamino)-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one (6E)-6-[4-(3-pyridylmethylamino)…
| 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) | 3.53 | 7.69 | -12.16 | 2 | 5 | 0 | 71 | 328.375 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.07 | 9.34 | -150.31 | 4 | 5 | 2 | 76 | 330.391 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.07 | 9.7 | -119.65 | 4 | 5 | 2 | 73 | 330.391 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.53 | 8.03 | -27.74 | 3 | 5 | 1 | 72 | 329.383 | 4 | ↓ |
