| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 7th, 2011 | 25 | Yes |
Popular Name: 3-oxo-1-phenyl-2-(2-pyridyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile 3-oxo-1-phenyl-2-(2-pyridyl)-5,6…
| 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) | 3.94 | 10.75 | -16.1 | 0 | 4 | 0 | 59 | 327.387 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.44 | 12.21 | -38.43 | 1 | 4 | 1 | 63 | 328.395 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
