| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2009 | 15 | Yes |
Popular Name: (3R)-3-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]pentanenitrile (3R)-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) | 1.22 | 6.17 | -30.74 | 2 | 3 | 1 | 40 | 210.345 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.22 | 3.92 | -7.22 | 1 | 3 | 0 | 39 | 209.337 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.22 | 5.41 | -42.15 | 2 | 3 | 1 | 44 | 210.345 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.22 | 7.16 | -113.56 | 3 | 3 | 2 | 45 | 211.353 | 6 | ↓ |
