| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 21 | Yes |
Popular Name: 1-(2-methoxyphenyl)-4-[(3S,6S)-6-methyl-3-piperidyl]piperazine 1-(2-methoxyphenyl)-4-[(3S,6S)-6…
| 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) | 2.44 | 5.44 | -37.1 | 2 | 4 | 1 | 32 | 290.431 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.44 | 4.18 | -3.2 | 1 | 4 | 0 | 28 | 289.423 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.44 | 6.55 | -32.51 | 2 | 4 | 1 | 29 | 290.431 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.44 | 7.82 | -108.16 | 3 | 4 | 2 | 34 | 291.439 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
