| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 18 | Yes |
Popular Name: 5-[(2S,6R)-2,6-dimethylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione 5-[(2S,6R)-2,6-dimethylpiperazin…
| 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) | -1.99 | -1.27 | -60.07 | 4 | 7 | 1 | 103 | 253.282 | 1 | ↓ |
| Hi High (pH 8-9.5) | -1.54 | -4.42 | -37.64 | 2 | 7 | -1 | 101 | 251.266 | 1 | ↓ |
| Mid Mid (pH 6-8) | -1.54 | -3.18 | -64.93 | 3 | 7 | 0 | 106 | 252.274 | 1 | ↓ |
| Mid Mid (pH 6-8) | -1.99 | -2.55 | -15.8 | 3 | 7 | 0 | 98 | 252.274 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
