| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 21 | Yes |
Popular Name: 3-[4-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]piperazin-1-yl]propan-1-amine 3-[4-[[1-(1-ethylpropyl)pyrazol-…
| 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) | 1.14 | 5.05 | -107.27 | 4 | 5 | 2 | 53 | 295.475 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.14 | 2.66 | -5.94 | 2 | 5 | 0 | 50 | 293.459 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.14 | 4.92 | -35.38 | 3 | 5 | 1 | 52 | 294.467 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.14 | 3.03 | -45.99 | 3 | 5 | 1 | 52 | 294.467 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.14 | 5.06 | -88.56 | 4 | 5 | 2 | 53 | 295.475 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
