| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2010 | 21 | Yes |
Popular Name: (2S,3S)-2-[[(3R)-1-(2-cyanoethyl)piperidine-3-carbonyl]amino]-3-methyl-pentanoic (2S,3S)-2-[[(3R)-1-(2-cyanoethyl…
| 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) | -0.92 | 7.65 | -82.07 | 2 | 6 | 0 | 97 | 295.383 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.92 | 5.37 | -58.92 | 1 | 6 | -1 | 96 | 294.375 | 7 | ↓ |
