| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 20 | Yes |
Popular Name: 2-[[[(1S)-1-(cyclopropylmethyl)propyl]amino]methyl]-3H-quinazolin-4-one 2-[[[(1S)-1-(cyclopropylmethyl)p…
| 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) | 2.65 | 7.37 | -49.24 | 3 | 4 | 1 | 62 | 272.372 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.65 | 6.19 | -8.42 | 2 | 4 | 0 | 58 | 271.364 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.11 | 4.8 | -43.76 | 2 | 4 | 0 | 65 | 271.364 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-[(2-cyclopropylethylamino)methyl]-3H-quinazolin-4-one](http://zinc12.docking.org/img/rings/522163.gif)