| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 10 | Yes |
Popular Name: (4-Aminomethyl-pyridin-3-yl)-methyl-amine (4-Aminomethyl-pyridin-3-yl)-met…
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CAS Number: NO
| 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) | -0.16 | -0.24 | -48.33 | 4 | 3 | 1 | 53 | 138.194 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.16 | 0.05 | -97.36 | 5 | 3 | 2 | 54 | 139.202 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ABP1-1-E | Diamine Oxidase (cluster #1 Of 4), Eukaryotic | Eukaryotes | 160 | 0.95 | Binding ≤ 10μM |
| AMO-1-E | Amine Oxidase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 710 | 0.86 | Binding ≤ 10μM |
| AOC3-1-E | Amine Oxidase, Copper Containing (cluster #1 Of 2), Eukaryotic | Eukaryotes | 8000 | 0.71 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AMO_PEA | Q43077 | Amine Oxidase, Pea | 710 | 0.86 | Binding ≤ 1μM |
| ABP1_HUMAN | P19801 | Diamine Oxidase, Human | 160 | 0.95 | Binding ≤ 1μM |
| AMO_PEA | Q43077 | Amine Oxidase, Pea | 710 | 0.86 | Binding ≤ 10μM |
| AOC3_HUMAN | Q16853 | Amine Oxidase, Copper Containing, Human | 8000 | 0.71 | Binding ≤ 10μM |
| ABP1_HUMAN | P19801 | Diamine Oxidase, Human | 160 | 0.95 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.