| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 24th, 2008 | 13 | Yes |
Popular Name: (R)-3-(pyrrolidin-2-ylmethoxy)pyridine (R)-3-(pyrrolidin-2-ylmethoxy)py…
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CAS Number: 161416-94-0
| 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) | 1.10 | 3.22 | -37.97 | 2 | 3 | 1 | 39 | 179.243 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.10 | 3.5 | -87.79 | 3 | 3 | 2 | 40 | 180.251 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0663912A1; US5914328; US5948793; WO1994008992A1; WO1996040682A1; WO1999032480A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACHD-3-E | Acetylcholine Receptor Protein Delta Chain (cluster #3 Of 3), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| Z80175-1-O | IMR-32 (Neuroblastoma Cells) (cluster #1 Of 2), Other | Other | 5800 | 0.56 | Functional ≤ 10μM |
| Z81074-1-O | K177cell Line (cluster #1 Of 1), Other | Other | 4300 | 0.58 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACHD_TORCA | P02718 | Acetylcholine Receptor Protein Delta Chain, Torca | 0.14 | 1.06 | Binding ≤ 1μM |
| ACHD_TORCA | P02718 | Acetylcholine Receptor Protein Delta Chain, Torca | 0.14 | 1.06 | Binding ≤ 10μM |
| Z80175 | Z80175 | IMR-32 (Neuroblastoma Cells) | 5800 | 0.56 | Functional ≤ 10μM |
| Z81074 | Z81074 | K177cell Line | 4300 | 0.58 | Functional ≤ 10μM |
