| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2010 | 21 | Yes |
Popular Name: (3R)-1-(2-cyanoethyl)-N-(4-iodo-2-methyl-phenyl)piperidine-3-carboxamide (3R)-1-(2-cyanoethyl)-N-(4-iodo-…
| 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) | 2.84 | 9.67 | -56.68 | 2 | 4 | 1 | 57 | 398.268 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.84 | 7.43 | -12.48 | 1 | 4 | 0 | 56 | 397.26 | 4 | ↓ |
