| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 13 | Yes |
Popular Name: 3-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]propanenitrile 3-[[(2S)-1-ethylpyrrolidin-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) | 0.00 | 4.1 | -38.32 | 2 | 3 | 1 | 40 | 182.291 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.00 | 1.76 | -6.17 | 1 | 3 | 0 | 39 | 181.283 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.00 | 3.08 | -54.68 | 2 | 3 | 1 | 44 | 182.291 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.00 | 5.4 | -124.6 | 3 | 3 | 2 | 45 | 183.299 | 5 | ↓ |
