| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 9 | Yes |
Popular Name: 4-(Aminomethyl)pyridin-3-amine 4-(Aminomethyl)pyridin-3-amine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 144288-49-3 , 847666-49-3 , N/A
3-Amino-4-pyridinemethanamine hydrochloride
4-(Aminomethyl)pyridin-3-amine dihydrochloride
4-(Aminomethyl)pyridin-3-amine hydrochloride
4-Aminomethyl-pyridin-3-ylamine
| 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) | -0.54 | -1.19 | -48.29 | 5 | 3 | 1 | 67 | 124.167 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.54 | -0.91 | -97.81 | 6 | 3 | 2 | 68 | 125.175 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ABP1-1-E | Diamine Oxidase (cluster #1 Of 4), Eukaryotic | Eukaryotes | 300 | 1.01 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ABP1_HUMAN | P19801 | Diamine Oxidase, Human | 300 | 1.01 | Binding ≤ 1μM |
| ABP1_HUMAN | P19801 | Diamine Oxidase, Human | 300 | 1.01 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.