| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 20 | Yes |
Popular Name: 1-oxo-N-(4H-1,2,4-triazol-3-ylmethyl)-2H-isoquinoline-3-carboxamide 1-oxo-N-(4H-1,2,4-triazol-3-ylme…
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) | 0.11 | 2.98 | -14.28 | 3 | 7 | 0 | 104 | 269.264 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.56 | 1.03 | -51.94 | 2 | 7 | -1 | 107 | 268.256 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
