| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 11 | No |
Popular Name: Formamide, N-cyclopentyl-N-cyclopropyl- (9CI) Formamide, N-cyclopentyl-N-cyclo…
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CAS Number: 207851-39-6
| 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) | 1.49 | 5.27 | -5.8 | 0 | 2 | 0 | 20 | 153.225 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADH1A-3-E | Alcohol Dehydrogenase Alpha Chain (cluster #3 Of 3), Eukaryotic | Eukaryotes | 880 | 0.77 | Binding ≤ 10μM |
| ADH1G-2-E | Alcohol Dehydrogenase Gamma Chain (cluster #2 Of 3), Eukaryotic | Eukaryotes | 4600 | 0.68 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADH1A_HUMAN | P07327 | Alcohol Dehydrogenase Alpha Chain, Human | 880 | 0.77 | Binding ≤ 1μM |
| ADH1A_HUMAN | P07327 | Alcohol Dehydrogenase Alpha Chain, Human | 880 | 0.77 | Binding ≤ 10μM |
| ADH1G_HUMAN | P00326 | Alcohol Dehydrogenase Gamma Chain, Human | 4600 | 0.68 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Abacavir metabolism | |
| Ethanol oxidation |
