| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2008 | 20 | Yes |
Popular Name: (2R,4S)-N-(2-cyanoethyl)-4-hydroxy-N-(3-pyridylmethyl)pyrrolidine-2-carboxamide (2R,4S)-N-(2-cyanoethyl)-4-hydro…
| 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) | -1.46 | 2.04 | -53.59 | 3 | 6 | 1 | 94 | 275.332 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.46 | 0.66 | -14.54 | 2 | 6 | 0 | 89 | 274.324 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -1.46 | 2.49 | -101.47 | 4 | 6 | 2 | 95 | 276.34 | 5 | ↓ |
