| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 21st, 2011 | 21 | Yes |
Popular Name: (2S)-2-[4-(2-pyridylmethyl)piperazin-1-yl]hexanamide (2S)-2-[4-(2-pyridylmethyl)piper…
| 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) | 1.68 | 4.26 | -32.23 | 3 | 5 | 1 | 64 | 291.419 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.68 | 1.98 | -9.48 | 2 | 5 | 0 | 62 | 290.411 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.68 | 2.02 | -31.53 | 3 | 5 | 1 | 64 | 291.419 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
