In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 21st, 2011 | 24 | Yes |
Popular Name: 2-[(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(7-ethoxy-3,4-dihydro-1H-isoq…
None
None
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) | 2.91 | 5.96 | -52.69 | 1 | 5 | 0 | 63 | 341.436 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.45 | 6.47 | -14.8 | 1 | 5 | 0 | 58 | 341.436 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.45 | 8.72 | -56.13 | 2 | 5 | 1 | 59 | 342.444 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.