| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 20 | Yes |
Popular Name: N-(4-methylthiazol-2-yl)-1-oxo-2H-isoquinoline-3-carboxamide N-(4-methylthiazol-2-yl)-1-oxo-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) | 2.12 | 4.64 | -11.27 | 2 | 5 | 0 | 75 | 285.328 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.19 | 3.11 | -41.65 | 1 | 5 | -1 | 81 | 284.32 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.58 | 2.71 | -46.99 | 1 | 5 | -1 | 78 | 284.32 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
