| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 23 | Yes |
Popular Name: [(2R)-1-propylpyrrolidin-2-yl]-[4-(thiazol-4-ylmethyl)-1,4-diazepan-1-yl]methanone [(2R)-1-propylpyrrolidin-2-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) | 1.69 | 9.49 | -89.76 | 2 | 5 | 2 | 42 | 338.521 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.69 | 5.53 | -13.97 | 0 | 5 | 0 | 40 | 336.505 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.69 | 7.61 | -37.08 | 1 | 5 | 1 | 41 | 337.513 | 5 | ↓ |
![Pyrrolidin-2-yl-[4-(thiazol-4-ylmethyl)-1,4-diazepan-1-yl]methanone](http://zinc12.docking.org/img/rings/404216.gif)
