In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 25 | No |
Popular Name: N-(3-cyanophenyl)-2-[(1R)-6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]acetamide N-(3-cyanophenyl)-2-[(1R)-6,7-di…
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) | 2.20 | 4.74 | -54.94 | 4 | 6 | 1 | 98 | 338.387 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.20 | 2.66 | -18.61 | 3 | 6 | 0 | 97 | 337.379 | 3 | ↓ |