| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2010 | 17 | Yes |
Popular Name: 3-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]propan-1-amine 3-[4-(2-pyrazol-1-ylethyl)pipera…
| 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) | -0.62 | 2.66 | -109.76 | 4 | 5 | 2 | 53 | 239.367 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.62 | 0.01 | -5.99 | 2 | 5 | 0 | 50 | 237.351 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.62 | 0.38 | -46.58 | 3 | 5 | 1 | 52 | 238.359 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.62 | 2.65 | -95.05 | 4 | 5 | 2 | 53 | 239.367 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
