| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 9th, 2010 | 31 | Yes |
Popular Name: Canagliflozin Canagliflozin
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1028977-37-8 , 842133-18-0 , 928672-86-0 , [842133-18-0]
1-(Glucopyranosyl)-4-methyl-3-(5-(4-fluorophenyl)-2-thienylmethyl)benzene
928672-86-0; Canagliflozin (USAN/INN); Canagliflozin hydrate (JAN); D09592
D-Glucitol, 1,5-anhydro-1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-
D-Glucitol, 1,5-anhydro-1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-, (1S)-
| 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) | 3.92 | 2.92 | -11.1 | 4 | 5 | 0 | 90 | 444.524 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 4.50e-03 g/l | DrugBank-approved |
| Target | SGLT | Selleck Chemicals |
No pre-computed analogs available. Try a structural similarity search.