| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2009 | 9 | Yes |
Popular Name: 7H-Cyclopenta[b]pyridine 7H-Cyclopenta[b]pyridine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 270-88-2 , 270-91-7 , 270-92-8 , [270-92-8]
| 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) | 1.69 | 4.46 | -6.96 | 0 | 1 | 0 | 13 | 117.151 | 0 | ↓ |
| Mid Mid (pH 6-8) | 1.69 | 4.5 | -5.56 | 0 | 1 | 0 | 13 | 117.151 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 1.69 | 4.91 | -28.88 | 1 | 1 | 1 | 14 | 118.159 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 1.69 | 4.89 | -27.02 | 1 | 1 | 1 | 14 | 118.159 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4117135; US4895588; US4997985; WO1995024914A1 | IBM Patent Data |
| PUBCHEM_PATENT_ID | WO1999057113A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.