| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2011 | 15 | Yes |
Popular Name: 1-[3-[(1S)-1-methylpropyl]-1H-pyrazol-5-yl]piperazine 1-[3-[(1S)-1-methylpropyl]-1H-py…
| 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) | 1.46 | 4.65 | -42.12 | 3 | 4 | 1 | 49 | 209.317 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.46 | 3.37 | -5.62 | 2 | 4 | 0 | 44 | 208.309 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.46 | 4.76 | -89.7 | 4 | 4 | 2 | 50 | 210.325 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
