| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 29th, 2008 | 30 | Yes |
Popular Name: (6E)-6-[4-(4-benzylpiperazin-1-yl)-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one (6E)-6-[4-(4-benzylpiperazin-1-y…
| 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) | 4.90 | 10.54 | -10.14 | 1 | 5 | 0 | 52 | 396.494 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.45 | 11.6 | -43.75 | 2 | 5 | 1 | 53 | 397.502 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.45 | 13.82 | -132.49 | 3 | 5 | 2 | 55 | 398.51 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
