| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 23 | Yes |
Popular Name: N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-1-oxo-2H-isoquinoline-3-carboxamide N-(3-tert-butyl-1,2,4-thiadiazol…
| 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) | 3.18 | 5.56 | -10.73 | 2 | 6 | 0 | 88 | 328.397 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.63 | 3.63 | -42.83 | 1 | 6 | -1 | 91 | 327.389 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
