| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2008 | 21 | Yes |
Popular Name: (2S)-N-(2-cyanoethyl)-N-phenyl-2-piperazin-1-yl-propanamide (2S)-N-(2-cyanoethyl)-N-phenyl-2…
| 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) | 0.47 | 4.97 | -49.78 | 2 | 5 | 1 | 64 | 287.387 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.47 | 3.55 | -11.61 | 1 | 5 | 0 | 59 | 286.379 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.47 | 5.78 | -44.74 | 2 | 5 | 1 | 61 | 287.387 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.47 | 7.17 | -129.81 | 3 | 5 | 2 | 65 | 288.395 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
