| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 9th, 2008 | 11 | No |
Popular Name: 2-thioxodihydropyrimidine-4,5,6(1H)-trione 5-oxime 2-thioxodihydropyrimidine-4,5,6(…
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CAS Numbers: , 23036-77-3
| 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) | -0.15 | -2.81 | -91.64 | 1 | 6 | -2 | 104 | 171.137 | 1 | ↓ |
| Ref Reference (pH 7) | -0.81 | -3.72 | -33.21 | 2 | 6 | -1 | 101 | 172.145 | 0 | ↓ |
| Ref Reference (pH 7) | -0.81 | -3.58 | -33.76 | 2 | 6 | -1 | 101 | 172.145 | 0 | ↓ |
| Hi High (pH 8-9.5) | -0.81 | -1.59 | -92.97 | 1 | 6 | -2 | 104 | 171.137 | 0 | ↓ |
| Mid Mid (pH 6-8) | -0.81 | -2.33 | -97.14 | 1 | 6 | -2 | 104 | 171.137 | 0 | ↓ |
| Mid Mid (pH 6-8) | -0.61 | -0.04 | -29.84 | 2 | 6 | -1 | 101 | 172.145 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
