In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 26th, 2008 | 16 | Yes |
Popular Name: 2-[(4-Methoxybenzoyl)(methyl)amino]acetic acid 2-[(4-Methoxybenzoyl)(methyl)ami…
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CAS Numbers: 133604-65-6 , N/A , [133604-65-6]
2-(4-Methoxy-N-methylbenzamido)acetic acid
2-[(4-methoxybenzoyl)(methyl)amino]aceticacid
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) | -0.71 | 4.03 | -57.32 | 0 | 5 | -1 | 70 | 222.22 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Warnings | IRRITANT | Matrix Scientific |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
ALDR-2-E | Aldose Reductase (cluster #2 Of 5), Eukaryotic | Eukaryotes | 6700 | 0.45 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
ALDR_RAT | P07943 | Aldose Reductase, Rat | 6700 | 0.45 | Binding ≤ 10μM |
Description | Species |
---|---|
Pregnenolone biosynthesis |