| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2010 | 23 | Yes |
Popular Name: 3-[[(3S)-1-(2-cyanoethyl)piperidine-3-carbonyl]amino]-4-methyl-benzoic 3-[[(3S)-1-(2-cyanoethyl)piperid…
| 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) | 1.66 | 9.14 | -97.09 | 2 | 6 | 0 | 97 | 315.373 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.66 | 6.9 | -69.53 | 1 | 6 | -1 | 96 | 314.365 | 5 | ↓ |
