| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2010 | 18 | Yes |
Popular Name: 1-[2-[(3-methyl-2-thienyl)methylamino]ethyl]pyrimidine-2,4-dione 1-[2-[(3-methyl-2-thienyl)methyl…
| 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) | 0.53 | 4.28 | -59.64 | 3 | 5 | 1 | 71 | 266.346 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.53 | 2.92 | -12.88 | 2 | 5 | 0 | 67 | 265.338 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.98 | 0.18 | -52.3 | 1 | 5 | -1 | 70 | 264.33 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1-[2-(2-thenylamino)ethyl]pyrimidine-2,4-quinone](http://zinc12.docking.org/img/rings/73447.gif)