| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 9 | Yes |
Popular Name: Isobarbituric acid Isobarbituric acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 20636-41-3 , 496-76-4 , [20636-41-3]
2,4(1H,3H)-pyrimidinedione, 5-hydroxy-
2,4(1H,3H)-Pyrimidinedione, 5-hydroxy- (9CI)
2,4,5(3H)-Pyrimidinetrione, dihydro- (9CI)
2,4,5-Trihydroxypyrimidine, 98%
5-hydroxy-2,4(1H,3H)-pyrimidinedione
5-hydroxypyrimidine-2,4(1H,3H)-dione
| 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) | -0.97 | -3.07 | -9.69 | 3 | 5 | 0 | 86 | 128.087 | 0 | ↓ |
| Ref Reference (pH 7) | -1.72 | -5.24 | -43.76 | 1 | 5 | -1 | 82 | 127.079 | 0 | ↓ |
| Lo Low (pH 4.5-6) | -1.90 | -2.13 | -11.77 | 2 | 5 | 0 | 75 | 128.087 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Melting_Point | >300? | Alfa-Aesar |
| Melting_Point | >300° | Alfa-Aesar |
| Patent Database Links | EP1702620; US2007259830 | ChEBI |
| UniProt Database Links | NEIL1_HUMAN; NEIL1_MOUSE; NEIL2_BOVIN; NEIL2_HUMAN; NEIL2_MOUSE; NEIL2_PONAB | ChEBI |
| Reactome Database Links | REACT_1015 | ChEBI |
| Description | Species |
|---|---|
| Cleavage of the damaged pyrimidine |
No pre-computed analogs available. Try a structural similarity search.