| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 17 | Yes |
Popular Name: [(2S,6S)-2,6-dimethylpiperazin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone [(2S,6S)-2,6-dimethylpiperazin-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) | -0.39 | 3.14 | -49.96 | 3 | 5 | 1 | 66 | 237.327 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.39 | 1.93 | -8.16 | 2 | 5 | 0 | 61 | 236.319 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
