| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 2nd, 2011 | 20 | Yes |
Popular Name: (2S)-3,3-dimethyl-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]butan-2-ol (2S)-3,3-dimethyl-1-[4-[(1-methy…
| 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) | 1.07 | 3.72 | -39 | 2 | 5 | 1 | 46 | 281.424 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.07 | 1.39 | -6.71 | 1 | 5 | 0 | 45 | 280.416 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.07 | 3.64 | -38.35 | 2 | 5 | 1 | 46 | 281.424 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
