| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 14th, 2008 | 24 | No |
Popular Name: 1-[(3,4-dimethoxy-5-nitro-phenyl)methyl]isoquinoline 1-[(3,4-dimethoxy-5-nitro-phenyl…
| 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) | 3.98 | 9.53 | -14.73 | 0 | 6 | 0 | 77 | 324.336 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.98 | 9.79 | -44.88 | 1 | 6 | 1 | 78 | 325.344 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
