| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 21 | Yes |
Popular Name: 2-(4-Chlorophenylsulfonamido)-2-phenylacetic acid 2-(4-Chlorophenylsulfonamido)-2-…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 117309-47-4 , 251096-79-4 , [117309-47-4]
2-([(4-chlorophenyl)sulfonyl]amino)-2-phenylacetic acid
2-{[(4-chlorophenyl)sulfonyl]amino}-2-phenylacetic acid
2-{[(4-Chlorophenyl)sulfonyl]amino}-2-phenylaceticacid
| 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) | 2.51 | 5.79 | -43.85 | 1 | 5 | -1 | 86 | 324.765 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 175 - 177 | KeyOrganics |
| MP | 175-177° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDR-1-E | Aldose Reductase (cluster #1 Of 5), Eukaryotic | Eukaryotes | 7100 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDR_RAT | P07943 | Aldose Reductase, Rat | 7100 | 0.34 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Pregnenolone biosynthesis |
No pre-computed analogs available. Try a structural similarity search.