| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2004 | 23 | Yes |
Popular Name: 7-(1H-pyrrol-1-yl)-2,4-bis(trifluoromethyl)[1,8]naphthyridine 7-(1H-pyrrol-1-yl)-2,4-bis(trifl…
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CAS Number: 338412-21-8
| 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) | 4.54 | 5.03 | -9.38 | 0 | 3 | 0 | 30 | 331.219 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.54 | 5.33 | -96.62 | 2 | 3 | 2 | 33 | 333.235 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.54 | 5.24 | -30.93 | 1 | 3 | 1 | 31 | 332.227 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.54 | 5.11 | -28.72 | 1 | 3 | 1 | 31 | 332.227 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 172 - 175 | KeyOrganics |
No pre-computed analogs available. Try a structural similarity search.
