In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 12th, 2008 | 25 | Yes |
Popular Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)acetamide 2-(3,4-dihydro-1H-isoquinolin-2-…
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) | 4.26 | 9.02 | -17.33 | 1 | 4 | 0 | 45 | 351.475 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.26 | 11.24 | -51.93 | 2 | 4 | 1 | 46 | 352.483 | 3 | ↓ |