| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2011 | 25 | Yes |
| 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) | 2.50 | 7.54 | -22.59 | 1 | 5 | 0 | 56 | 345.487 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.50 | 9.9 | -74.73 | 2 | 5 | 1 | 58 | 346.495 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![4-(cyclopropylmethyl)-1-[(4-keto-1H-pyridin-2-yl)methyl]-1,4-diazepan-5-one](http://zinc12.docking.org/img/rings/33399.gif)