| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 20 | Yes |
Popular Name: (1R,2R)-1-(4-isobutylpiperazin-1-yl)-1-(2-pyridyl)propan-2-amine (1R,2R)-1-(4-isobutylpiperazin-1…
| 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) | 0.97 | 4.97 | -95.04 | 4 | 4 | 2 | 48 | 278.444 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.97 | 2.71 | -3.83 | 2 | 4 | 0 | 45 | 276.428 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.97 | 4.66 | -32.18 | 3 | 4 | 1 | 47 | 277.436 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.97 | 3.09 | -43.6 | 3 | 4 | 1 | 47 | 277.436 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
