| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2011 | 24 | Yes |
Popular Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-oxo-2H-isoquinoline-3-carboxamide N-(6-methyl-1,3-benzothiazol-2-y…
| 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) | 3.83 | 7.57 | -14.61 | 2 | 5 | 0 | 75 | 335.388 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.28 | 5.62 | -49.65 | 1 | 5 | -1 | 78 | 334.38 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
