| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2011 | 21 | Yes |
Popular Name: (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(4-chloro-2-hydroxy-phenyl)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) | 2.87 | 5.01 | -9.62 | 3 | 4 | 0 | 67 | 302.761 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.87 | 5.91 | -52.53 | 2 | 4 | -1 | 69 | 301.753 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
