In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 2nd, 2009 | 29 | No |
Popular Name: (1R)-6,7-dimethoxy-2-[(4-nitrophenyl)methyl]-1-(2-thienyl)-3,4-dihydro-1H-isoquinoline (1R)-6,7-dimethoxy-2-[(4-nitroph…
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) | 4.39 | 10.69 | -12.05 | 0 | 6 | 0 | 68 | 410.495 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.39 | 12.85 | -55.24 | 1 | 6 | 1 | 69 | 411.503 | 6 | ↓ |