| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 9 | Yes |
Popular Name: 2-(1H-Pyrrol-2-yl)acetic acid 2-(1H-Pyrrol-2-yl)acetic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 79673-53-3 , [79673-53-3]
1H-Pyrrole-2-acetic acid (9CI)
4-Imidazoleacetic Acid Hydrochloride [3251-69-2]
| 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) | 0.52 | 2.65 | -46.97 | 1 | 3 | -1 | 56 | 124.119 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 218-222 °C(lit.) | Indofine |
| MP | 223-225o C | Indofine |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| PUBCHEM_PATENT_ID | US6028090 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
