| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 18 | Yes |
Popular Name: [4-[(1S)-1-methylpropyl]piperazin-1-yl]-[(2S)-2-piperidyl]methanone [4-[(1S)-1-methylpropyl]piperazi…
| 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) | 1.44 | 4.36 | -36.08 | 2 | 4 | 1 | 40 | 254.398 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.44 | 3.11 | -6.91 | 1 | 4 | 0 | 36 | 253.39 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.44 | 6.15 | -91.19 | 3 | 4 | 2 | 41 | 255.406 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
