| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2008 | 10 | Yes |
Popular Name: Pi-Methylimidazoleacetic acid Pi-Methylimidazoleacetic acid
Find On: PubMed — Wikipedia — Google
CAS Number: 1071661-55-6
1-methyl-5-imidazoleacetic acid
1-Methyl-5-imidazoleacetic acid;1-Methyl-Imidazole-5-acetic acid
1-methyl-Imidazole-5-acetic acid; Pi-Methylimidazoleacetic acid; Pros-methylimidazoleacetic 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) | -1.18 | 4.01 | -48.87 | 0 | 4 | -1 | 58 | 139.134 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.18 | 4.53 | -50.01 | 1 | 4 | 0 | 59 | 140.142 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.