| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 13 | Yes |
Popular Name: 2-pyridin-4-ylazepane 2-pyridin-4-ylazepane
Find On: PubMed — Wikipedia — Google
CAS Number: 383129-02-0
| 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) | 0.90 | 5.12 | -40.69 | 2 | 2 | 1 | 29 | 177.271 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.90 | 5.39 | -96.48 | 3 | 2 | 2 | 31 | 178.279 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | EP0138153A2; US4592869 | IBM Patent Data |
