| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 23 | Yes |
Popular Name: (2S)-3-[(3R)-3-methyl-1-oxo-isochroman-3-yl]-2-(4-methylthiazol-2-yl)-3-oxo-propanenitrile (2S)-3-[(3R)-3-methyl-1-oxo-isoc…
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| 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) | 1.63 | 8.26 | -11.13 | 0 | 5 | 0 | 80 | 326.377 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.39 | 7.66 | -38.82 | 0 | 5 | -1 | 86 | 325.369 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
