In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 3rd, 2009 | 20 | Yes |
Popular Name: ethyl ethyl
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) | 1.96 | 6.88 | -52.85 | 0 | 5 | -1 | 70 | 294.714 | 5 | ↓ |
Ref Reference (pH 7) | 0.67 | 7.2 | -39.25 | 0 | 5 | -1 | 70 | 294.714 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.96 | 5.91 | -13.81 | 1 | 5 | 0 | 67 | 295.722 | 5 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
ALDR-2-E | Aldose Reductase (cluster #2 Of 5), Eukaryotic | Eukaryotes | 310 | 0.46 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
ALDR_HUMAN | P15121 | Aldose Reductase, Human | 310 | 0.46 | Binding ≤ 1μM |
ALDR_HUMAN | P15121 | Aldose Reductase, Human | 310 | 0.46 | Binding ≤ 10μM |
Description | Species |
---|---|
Pregnenolone biosynthesis |