| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2009 | 27 | Yes |
Popular Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide 2-(3,4-dihydro-1H-isoquinolin-2-…
| 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) | 2.31 | 5.36 | -23.55 | 1 | 6 | 0 | 79 | 401.513 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.13 | 4.43 | -52.34 | 0 | 6 | -1 | 86 | 400.505 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.13 | 6.76 | -46.32 | 1 | 6 | 0 | 87 | 401.513 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.87 | 6.6 | -43.69 | 2 | 6 | 1 | 84 | 402.521 | 3 | ↓ |
