| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 20 | Yes |
Popular Name: (1S,2R)-1-(4-isobutylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)propan-2-amine (1S,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) | 0.52 | 4.69 | -99.23 | 4 | 5 | 2 | 53 | 281.448 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.52 | 4.4 | -36.56 | 3 | 5 | 1 | 52 | 280.44 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.52 | 2.74 | -39.88 | 3 | 5 | 1 | 52 | 280.44 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.52 | 2.42 | -4.54 | 2 | 5 | 0 | 50 | 279.432 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
