| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 11 | Yes |
Popular Name: 3-Pyridinecarboxylic acid, 6-amino-2,3,4,5-tetrahydro-, methyl ester (9CI) 3-Pyridinecarboxylic acid, 6-ami…
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CAS Number: 158930-48-4
| 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) | 0.28 | -1.55 | -34.81 | 3 | 4 | 1 | 66 | 157.193 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104303-2-O | Muscarinic Acetylcholine Receptor (cluster #2 Of 7), Other | Other | 10000 | 0.64 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104303 | Z104303 | Muscarinic Acetylcholine Receptor | 10000 | 0.64 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.