| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 17th, 2009 | 13 | Yes |
Popular Name: (3S)-3-[[(3R)-1-methylpyrrolidin-3-yl]methylamino]butanenitrile (3S)-3-[[(3R)-1-methylpyrrolidin…
| 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) | 0.42 | 4.41 | -35.69 | 2 | 3 | 1 | 40 | 182.291 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.42 | 5.59 | -103.38 | 3 | 3 | 2 | 45 | 183.299 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.42 | 2.94 | -46.04 | 2 | 3 | 1 | 44 | 182.291 | 4 | ↓ |
