| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 15 | Yes |
Popular Name: (3S,5S)-3,5-dimethyl-1-(6-methyl-3-pyridyl)piperazine (3S,5S)-3,5-dimethyl-1-(6-methyl…
| 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) | 1.33 | 4.73 | -41.92 | 2 | 3 | 1 | 33 | 206.313 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.33 | 3.58 | -4.51 | 1 | 3 | 0 | 28 | 205.305 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.33 | 5.15 | -84.3 | 3 | 3 | 2 | 34 | 207.321 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
