| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2008 | 10 | No |
Popular Name: 1-Benzyl-1-methylhydrazine 1-Benzyl-1-methylhydrazine
Find On: PubMed — Wikipedia — Google
CAS Number: 3931-52-0
| 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) | 1.13 | 4.39 | -36.12 | 3 | 2 | 1 | 30 | 137.206 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.13 | 2.8 | -2.37 | 2 | 2 | 0 | 29 | 136.198 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.13 | 2.6 | -38.71 | 3 | 2 | 1 | 31 | 137.206 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOC3-1-E | Amine Oxidase, Copper Containing (cluster #1 Of 2), Eukaryotic | Eukaryotes | 269 | 0.92 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOC3_HUMAN | Q16853 | Amine Oxidase, Copper Containing, Human | 269.15348 | 0.92 | Binding ≤ 1μM |
| AOC3_HUMAN | Q16853 | Amine Oxidase, Copper Containing, Human | 269.15348 | 0.92 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.