| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 19 | Yes |
Popular Name: (4aR,8aS)-N-(4-pyridyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide (4aR,8aS)-N-(4-pyridyl)-3,4,4a,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) | 2.69 | 6.86 | -9.6 | 1 | 4 | 0 | 45 | 259.353 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.69 | 7.32 | -35.88 | 2 | 4 | 1 | 46 | 260.361 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
