| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2011 | 20 | Yes |
Popular Name: (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(5-hydroxy-3-pyridyl)methanone (5-amino-3,4-dihydro-1H-isoquino…
| 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) | 0.42 | 2.98 | -33.99 | 3 | 5 | 0 | 84 | 269.304 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.42 | 2.52 | -46.49 | 2 | 5 | -1 | 82 | 268.296 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.42 | 1.76 | -10.02 | 3 | 5 | 0 | 79 | 269.304 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
