In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 13 | Yes |
Popular Name: (S)-3-(pyrrolidin-2-ylmethoxy)pyridine (S)-3-(pyrrolidin-2-ylmethoxy)py…
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CAS Number: 161416-57-5
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 | 3.25 | -38.27 | 2 | 3 | 1 | 39 | 179.243 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.10 | 3.52 | -87.83 | 3 | 3 | 2 | 40 | 180.251 | 3 | ↓ |
Note Type | Comments | Provided By |
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PUBCHEM_PATENT_ID | EP0663912A1; US5914328; US5948793; WO1994008992A1; WO1996040682A1; WO1999032480A1 | IBM Patent Data |