| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2011 | 22 | No |
Popular Name: [4-[[(3R)-1-(2-cyanoethyl)piperidine-3-carbonyl]amino]phenyl] [4-[[(3R)-1-(2-cyanoethyl)piperi…
| 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) | 1.58 | 8.25 | -58.5 | 2 | 5 | 1 | 81 | 315.422 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.58 | 6.01 | -13.68 | 1 | 5 | 0 | 80 | 314.414 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
