| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2009 | 26 | Yes |
Popular Name: 2-(4-methylpiperazin-1-yl)-4-(p-tolyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine 2-(4-methylpiperazin-1-yl)-4-(p-…
| 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) | 5.63 | 13.9 | -90.81 | 2 | 3 | 2 | 22 | 351.538 | 2 | ↓ |
| Mid Mid (pH 6-8) | 5.63 | 11.53 | -24.05 | 1 | 3 | 1 | 21 | 350.53 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5021421 | IBM Patent Data |
