| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2008 | 23 | Yes |
Popular Name: (3S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-oxo-isochroman-3-carboxamide (3S)-N-(5-butyl-1,3,4-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) | 2.62 | 8.73 | -28.5 | 1 | 6 | 0 | 81 | 331.397 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.80 | 7.66 | -50.46 | 0 | 6 | -1 | 88 | 330.389 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
