| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 9th, 2009 | 30 | Yes |
Popular Name: N-isopropyl-2-[4-[2-(4-pyridyl)quinazolin-4-yl]-1,4-diazepan-1-yl]acetamide N-isopropyl-2-[4-[2-(4-pyridyl)q…
| 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) | 3.03 | 9.32 | -49.31 | 2 | 7 | 1 | 75 | 405.526 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.03 | 7.35 | -13.37 | 1 | 7 | 0 | 74 | 404.518 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.03 | 9.65 | -90.67 | 3 | 7 | 2 | 77 | 406.534 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
