| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 14th, 2012 | 15 | No |
Popular Name: ETHYL-METHYL-5-METHYL-3,4-ISOXAZOLEDICARBOXYLATE ETHYL-METHYL-5-METHYL-3,4-ISOXAZ…
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CAS Number: 198135-28-3
| 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) | -1.26 | 3.94 | -122.32 | 0 | 6 | -2 | 93 | 213.189 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -1.26 | 2.01 | -50.2 | 1 | 6 | -1 | 90 | 214.197 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -1.26 | 5.25 | -75.5 | 1 | 6 | -1 | 94 | 214.197 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.