| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 17th, 2006 | 11 | No |
Popular Name: 2-ethyl-N-hydroxyhexanamide 2-ethyl-N-hydroxyhexanamide
Find On: PubMed — Wikipedia — Google
CAS Number: 36369-08-1
| 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) | 2.29 | -0.56 | -11.61 | 2 | 3 | 0 | 49 | 159.229 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.29 | 0 | -53.93 | 1 | 3 | -1 | 52 | 158.221 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH1-3-E | Carbonic Anhydrase I (cluster #3 Of 12), Eukaryotic | Eukaryotes | 4810 | 0.68 | Binding ≤ 10μM |
| CAH2-4-E | Carbonic Anhydrase II (cluster #4 Of 15), Eukaryotic | Eukaryotes | 2600 | 0.71 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH1_HUMAN | P00915 | Carbonic Anhydrase I, Human | 4810 | 0.68 | Binding ≤ 10μM |
| CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 2600 | 0.71 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Erythrocytes take up carbon dioxide and release oxygen | |
| Erythrocytes take up oxygen and release carbon dioxide | |
| Reversible hydration of carbon dioxide |
