| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 20 | Yes |
Popular Name: 1-[(3S,6R)-6-methyl-3-piperidyl]-4-(m-tolyl)piperazine 1-[(3S,6R)-6-methyl-3-piperidyl]…
| 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) | 2.86 | 6.06 | -40.41 | 2 | 3 | 1 | 23 | 274.432 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.86 | 4.97 | -2.8 | 1 | 3 | 0 | 19 | 273.424 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.86 | 8.38 | -113.9 | 3 | 3 | 2 | 24 | 275.44 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.86 | 7.12 | -37.07 | 2 | 3 | 1 | 20 | 274.432 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
