| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2010 | 19 | Yes |
Popular Name: (2S)-2-[[(3R)-1-(2-cyanoethyl)piperidine-3-carbonyl]amino]-3-hydroxy-propanoic (2S)-2-[[(3R)-1-(2-cyanoethyl)pi…
| 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) | -3.18 | 2.51 | -84.11 | 3 | 7 | 0 | 118 | 269.301 | 6 | ↓ |
| Mid Mid (pH 6-8) | -3.18 | 0.27 | -60.15 | 2 | 7 | -1 | 116 | 268.293 | 6 | ↓ |
