| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 6 | No |
Popular Name: N-(propan-2-yl)formamide N-(propan-2-yl)formamide
Find On: PubMed — Wikipedia — Google
CAS Number: 16741-46-1
| 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) | 0.15 | 0.59 | -7.55 | 1 | 2 | 0 | 29 | 87.122 | 1 | ↓ |
| 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 |
|---|---|---|---|---|---|
| ADH1E-1-E | Alcohol Dehydrogenase E Chain (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2600 | 1.30 | Binding ≤ 10μM |
| ADH1S-1-E | Alcohol Dehydrogenase S Chain (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2600 | 1.30 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADH1E_HORSE | P00327 | Alcohol Dehydrogenase E Chain, Horse | 2600 | 1.30 | Binding ≤ 10μM |
| ADH1S_HORSE | P00328 | Alcohol Dehydrogenase S Chain, Horse | 2600 | 1.30 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.