| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 20 | Yes |
Popular Name: 1-(4-fluorophenyl)-4-[(3R,6S)-6-methyl-3-piperidyl]piperazine 1-(4-fluorophenyl)-4-[(3R,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) | 2.60 | 5.44 | -41.02 | 2 | 3 | 1 | 23 | 278.395 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.60 | 4.2 | -3.28 | 1 | 3 | 0 | 19 | 277.387 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.60 | 7.8 | -118.56 | 3 | 3 | 2 | 24 | 279.403 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.60 | 6.54 | -40.2 | 2 | 3 | 1 | 20 | 278.395 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
