| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 17 | Yes |
Popular Name: [(2S,6R)-2,6-dimethylpiperazin-1-yl]-(3-hydroxy-2-pyridyl)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) | 0.28 | 1.09 | -46.97 | 3 | 5 | 1 | 70 | 236.295 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.28 | 0.57 | -50.43 | 1 | 5 | -1 | 68 | 234.279 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.28 | 0.2 | -33.76 | 2 | 5 | 0 | 70 | 235.287 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.28 | 1.52 | -70.65 | 3 | 5 | 1 | 74 | 236.295 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.28 | 1.87 | -70.09 | 2 | 5 | 0 | 73 | 235.287 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.28 | -0.2 | -9.49 | 2 | 5 | 0 | 65 | 235.287 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
