In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 18th, 2005 | 12 | Yes |
Popular Name: Pyrimidine, 5-[(2S)-2-azetidinylmethoxy]- (9CI) Pyrimidine, 5-[(2S)-2-azetidinyl…
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CAS Number: 228866-56-6
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) | 0.12 | -2.88 | -43.33 | 2 | 4 | 1 | 51 | 166.204 | 3 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z104290-4-O | Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #4 Of 4), Other | Other | 0 | 0.00 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 0.13 | 1.15 | Binding ≤ 1μM |
Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 0.13 | 1.15 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.