| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 5th, 2011 | 28 | Yes |
Popular Name: (1S)-2-benzyl-3-oxo-N-(4-pyridylmethyl)-1,4-dihydroisoquinoline-1-carboxamide (1S)-2-benzyl-3-oxo-N-(4-pyridyl…
| 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) | 1.85 | 9.39 | -14.17 | 1 | 5 | 0 | 62 | 371.44 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.85 | 9.85 | -52.49 | 2 | 5 | 1 | 64 | 372.448 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
