| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 26th, 2011 | 25 | Yes |
Popular Name: 4-(4-cyclopropyl-1,4-diazepan-1-yl)-2-(3-thienyl)quinazoline 4-(4-cyclopropyl-1,4-diazepan-1-…
| 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) | 4.00 | 12.85 | -39.33 | 1 | 4 | 1 | 33 | 351.499 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.00 | 11 | -8.81 | 0 | 4 | 0 | 32 | 350.491 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.00 | 13.24 | -74.38 | 2 | 4 | 2 | 35 | 352.507 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.00 | 13.29 | -89.78 | 2 | 4 | 2 | 35 | 352.507 | 3 | ↓ |
