| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 20 | Yes |
Popular Name: [(2S)-pyrrolidin-2-yl]-[4-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-diazepan-1-yl]methanone [(2S)-pyrrolidin-2-yl]-[4-[[(2S)…
| 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) | 0.38 | 5.99 | -87.5 | 3 | 5 | 2 | 51 | 283.416 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.38 | 4.76 | -39.08 | 2 | 5 | 1 | 46 | 282.408 | 3 | ↓ |
![Pyrrolidin-2-yl-[4-(tetrahydrofurfuryl)-1,4-diazepan-1-yl]methanone](http://zinc12.docking.org/img/rings/579233.gif)
