| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2011 | 22 | Yes |
Popular Name: 1,3-dimethyl-6-[(4-propanoyl-1,4-diazepan-1-yl)methyl]pyrimidine-2,4-dione 1,3-dimethyl-6-[(4-propanoyl-1,4…
| 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) | -0.14 | 6.49 | -17.8 | 0 | 7 | 0 | 68 | 308.382 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.14 | 7.14 | -62.79 | 1 | 7 | 1 | 69 | 309.39 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
