| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 17th, 2010 | 9 | Yes |
Popular Name: trans-octahydro-1H-pyrrolo[3,4-b]pyridine trans-octahydro-1H-pyrrolo[3,4-b…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 158060-81-2 , 5654-94-4
| 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) | 0.50 | -1.36 | -37.49 | 2 | 2 | 0 | 31 | 126.203 | 0 | ↓ |
| Mid Mid (pH 6-8) | 0.50 | 0.27 | -36.78 | 3 | 2 | 1 | 29 | 127.211 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 0.50 | 1.57 | -104.42 | 4 | 2 | 2 | 33 | 128.219 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000031077A1 | IBM Patent Data |
