| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 17 | Yes |
Popular Name: (2S,5S)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-5-methyl-piperazine-2-carboxamide (2S,5S)-N-[[(2R)-1,4-dioxan-2-yl…
| 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) | -1.20 | -2.21 | -44.8 | 4 | 6 | 1 | 76 | 244.315 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.20 | -3.48 | -7.7 | 3 | 6 | 0 | 72 | 243.307 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
