| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2005 | 7 | No |
Popular Name: Biguanide Biguanide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 22817-07-8 , 4761-93-7 , 56-03-1 , [4761-93-7]
56-03-1; Biguanide; C07672; Guanylguanidine
Biguanide; H2N-C(=NH)-NH-C(=NH)-NH2; Hbig; imidodicarbonimidic diamide
Imidodicarbonimidic diamide monohydrochloride; Guanylguanidinium chloride
| 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) | -1.88 | 0.35 | -5.67 | 8 | 5 | 0 | 116 | 102.121 | 1 | ↓ |
| Mid Mid (pH 6-8) | -1.88 | -0.68 | -5.44 | 8 | 5 | 0 | 116 | 102.121 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -1.75 | 0.14 | -33.7 | 8 | 5 | 1 | 114 | 102.121 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Patent Database Links | EP1022272; EP1136071; EP1258253; EP1338600; EP1428531; EP1479666; EP1514550; EP1532990; EP1552832; EP1557165; EP1561472; EP1588708; EP1625847; EP1634605; EP1669345; EP1685833; EP1734040; EP1738754; EP1741713; EP1764110; EP1813273; EP1857118; EP1857457; EP | ChEBI |
| PUBCHEM_PATENT_ID | US4004074; US5239100; US5312944 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.