| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 15 | Yes |
Popular Name: [(2S,6R)-2,6-dimethylpiperazin-1-yl]-(1H-triazol-4-yl)methanone [(2S,6R)-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) | -0.58 | 0.47 | -50.69 | 3 | 6 | 1 | 78 | 210.261 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.58 | -0.82 | -38.4 | 1 | 6 | -1 | 72 | 208.245 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.58 | -0.81 | -7.07 | 2 | 6 | 0 | 74 | 209.253 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.58 | 0.5 | -63.88 | 2 | 6 | 0 | 77 | 209.253 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
