| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2004 | 29 | Yes |
Popular Name: ethyl 5-amino-1-[5,7-bis(trifluoromethyl)[1,8]naphthyridin-2-yl]-1H-pyrazole-4-carboxylate ethyl 5-amino-1-[5,7-bis(trifluo…
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CAS Number: 246022-31-1
| 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) | 3.75 | 4.32 | -8.77 | 2 | 7 | 0 | 95 | 419.285 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.75 | 4.39 | -31.99 | 3 | 7 | 1 | 97 | 420.293 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.75 | 4.57 | -30.41 | 3 | 7 | 1 | 97 | 420.293 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.75 | 4.66 | -97.73 | 4 | 7 | 2 | 98 | 421.301 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 195 - 197 | KeyOrganics |
No pre-computed analogs available. Try a structural similarity search.
