| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 5th, 2011 | 26 | Yes |
Popular Name: (1R)-N-[(4-dimethylaminophenyl)methyl]-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide (1R)-N-[(4-dimethylaminophenyl)m…
| 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) | 2.22 | 8.82 | -13.35 | 1 | 5 | 0 | 53 | 351.45 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.22 | 9.6 | -27.29 | 2 | 5 | 0 | 54 | 352.458 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
