| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2008 | 19 | No |
Popular Name: 3-(3-oxo-1,3,4,5,6,7-hexahydro-2H-indazol-2-yl)benzenecarboxylic acid 3-(3-oxo-1,3,4,5,6,7-hexahydro-2…
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CAS Number: 885949-86-0
| 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) | 2.80 | 7.47 | -55.77 | 0 | 5 | -1 | 73 | 257.269 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.84 | 6.29 | -117.35 | 0 | 5 | -2 | 81 | 256.261 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.