| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 18 | Yes |
Popular Name: 6-[(2S,6R)-2,6-dimethylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione 6-[(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) | -0.59 | -1.52 | -64.58 | 3 | 7 | 0 | 106 | 252.274 | 1 | ↓ |
| Mid Mid (pH 6-8) | -1.04 | -2.01 | -8.54 | 3 | 7 | 0 | 98 | 252.274 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.59 | -2.84 | -36.64 | 2 | 7 | -1 | 101 | 251.266 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -1.04 | -0.7 | -57.16 | 4 | 7 | 1 | 103 | 253.282 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
