| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 20 | Yes |
Popular Name: 4-[[4-[(1R)-1-methylpropyl]piperazin-1-yl]methyl]tetrahydropyran-4-carboxylic 4-[[4-[(1R)-1-methylpropyl]piper…
| 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) | 1.15 | 6.37 | -51.4 | 1 | 5 | 0 | 57 | 284.4 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.15 | 4.5 | -48.23 | 0 | 5 | -1 | 56 | 283.392 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.15 | 6.06 | -38.35 | 1 | 5 | 0 | 57 | 284.4 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
