| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 17 | Yes |
Popular Name: 5-(Pyridin-2-ylcarbamoyl)-3H-imidazole-4-carboxylic acid 5-(Pyridin-2-ylcarbamoyl)-3H-imi…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 436088-75-4 , [436088-75-4]
5-(Pyridin-2-ylcarbamoyl)-3 H -imidazole-4-carboxy
5-(Pyridin-2-ylcarbamoyl)-3 H -imidazole-4-carboxylic acid
| 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) | -0.03 | 4.09 | -64.23 | 2 | 7 | -1 | 111 | 231.191 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.03 | 4.6 | -69.58 | 3 | 7 | 0 | 112 | 232.199 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.03 | 3.83 | -72.36 | 3 | 7 | 0 | 112 | 232.199 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.03 | 4.27 | -83.35 | 4 | 7 | 1 | 113 | 233.207 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.