| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 17th, 2009 | 14 | Yes |
Popular Name: (3S)-3-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]butanenitrile (3S)-3-[[(2S)-1-ethylpyrrolidin-…
| 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) | 0.68 | 4.86 | -36.77 | 2 | 3 | 1 | 40 | 196.318 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.68 | 2.54 | -7.23 | 1 | 3 | 0 | 39 | 195.31 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.68 | 5.87 | -112.86 | 3 | 3 | 2 | 45 | 197.326 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.68 | 3.54 | -45.17 | 2 | 3 | 1 | 44 | 196.318 | 5 | ↓ |
