| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 19 | No |
Popular Name: 1-[4-(chloromethyl)-2,5-dimethyl-pyrazol-3-yl]-4-[(1S)-1-methylpropyl]piperazine 1-[4-(chloromethyl)-2,5-dimethyl…
| 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 | 9.06 | -40.39 | 1 | 4 | 1 | 26 | 285.843 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.44 | 7.25 | -4.2 | 0 | 4 | 0 | 24 | 284.835 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.44 | 9.19 | -85.01 | 2 | 4 | 2 | 27 | 286.851 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
