| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 12th, 2004 | 33 | Yes |
Popular Name: 4-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-anilino]-4-keto-butyrate 4-[2-[(6,7-dimethoxy-1-isoquinol…
| 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) | 2.41 | 7.61 | -60.12 | 1 | 9 | -1 | 119 | 453.471 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 2.41 | 8.43 | -69.98 | 2 | 9 | 0 | 120 | 454.479 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 2.41 | 7.31 | -53.68 | 3 | 9 | 1 | 117 | 455.487 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
