| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 20 | Yes |
Popular Name: (1R,2R)-1-[4-[(1S)-1-methylpropyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)propan-2-amine (1R,2R)-1-[4-[(1S)-1-methylpropy…
| 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) | 0.61 | 3.89 | -111.59 | 4 | 5 | 2 | 53 | 281.448 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.61 | 1.98 | -46.18 | 3 | 5 | 1 | 52 | 280.44 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.61 | 1.67 | -4.92 | 2 | 5 | 0 | 50 | 279.432 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
