| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 14 | Yes |
Popular Name: 1,7-Dimethyluric acid 1,7-Dimethyluric acid
Find On: PubMed — Wikipedia — Google
CAS Number: 33868-03-0
1,7-Dimethyl-2,6,8-trihydroxypurine
1,7-dimethylurate; 1,7-dimethyluric acid; CPD-12483
1,7-Dimethyluric Acid-[13C4,15N3]
| 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) | -0.85 | -1.33 | -31.8 | 1 | 7 | -1 | 96 | 195.158 | 0 | ↓ |
| Ref Reference (pH 7) | 0.10 | -1.15 | -32.77 | 1 | 7 | -1 | 96 | 195.158 | 0 | ↓ |
| Hi High (pH 8-9.5) | 0.55 | -1.61 | -98.73 | 0 | 7 | -2 | 99 | 194.15 | 0 | ↓ |
| Mid Mid (pH 6-8) | -0.36 | 0.72 | -10.64 | 2 | 7 | 0 | 93 | 196.166 | 0 | ↓ |
| Mid Mid (pH 6-8) | -0.85 | -1.3 | -34.22 | 1 | 7 | -1 | 96 | 195.158 | 0 | ↓ |
| Mid Mid (pH 6-8) | 0.10 | -1.17 | -37.17 | 1 | 7 | -1 | 96 | 195.158 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.