In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 25th, 2011 | 25 | Yes |
Popular Name: (3R)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide (3R)-2-[(6-chloro-4H-1,3-benzodi…
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) | 2.81 | 4.37 | -10.86 | 2 | 5 | 0 | 65 | 358.825 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.81 | 6.63 | -37.58 | 3 | 5 | 1 | 66 | 359.833 | 3 | ↓ |