| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 21 | Yes |
Popular Name: [(2S)-1-methylpyrrolidin-2-yl]-[4-(thiazol-4-ylmethyl)-1,4-diazepan-1-yl]methanone [(2S)-1-methylpyrrolidin-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) | 0.81 | 7.72 | -88.61 | 2 | 5 | 2 | 42 | 310.467 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.81 | 3.36 | -11.51 | 0 | 5 | 0 | 40 | 308.451 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.81 | 5.84 | -39.23 | 1 | 5 | 1 | 41 | 309.459 | 3 | ↓ |
![Pyrrolidin-2-yl-[4-(thiazol-4-ylmethyl)-1,4-diazepan-1-yl]methanone](http://zinc12.docking.org/img/rings/404216.gif)
