| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2010 | 25 | Yes |
Popular Name: 3-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxo-propyl]-4-methyl-thiazol-2-one 3-[3-(4-benzyl-1,4-diazepan-1-yl…
| 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) | 1.79 | 10.51 | -45.26 | 1 | 5 | 1 | 47 | 360.503 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.79 | 8.63 | -13.95 | 0 | 5 | 0 | 46 | 359.495 | 5 | ↓ |
![3-[3-(4-benzyl-1,4-diazepan-1-yl)-3-keto-propyl]-4-thiazolin-2-one](http://zinc12.docking.org/img/rings/589457.gif)
