| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 21 | Yes |
Popular Name: (1R,2R)-1-(4-isobutylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)butan-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) | 1.06 | 5.01 | -113.96 | 4 | 5 | 2 | 53 | 295.475 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.06 | 3.03 | -45.87 | 3 | 5 | 1 | 52 | 294.467 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.06 | 2.75 | -4.97 | 2 | 5 | 0 | 50 | 293.459 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
