| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2005 | 19 | Yes |
Popular Name: 2-(1,8-Naphthyridin-2-yl)benzoic acid 2-(1,8-Naphthyridin-2-yl)benzoic…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 178617-49-7 , [178617-49-7]
| 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) | 2.76 | 6.92 | -67.71 | 0 | 4 | -1 | 66 | 249.249 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.76 | 7.21 | -61.16 | 1 | 4 | 0 | 67 | 250.257 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.76 | 7.2 | -44.91 | 1 | 4 | 0 | 67 | 250.257 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.76 | 7.5 | -85.52 | 2 | 4 | 1 | 68 | 251.265 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 185 - 190° (de | Fluorochem |
| MP | 185-190°(dec) | Matrix Scientific |
| MP | 185-190°(dec.) | Oakwood Chemical |
| Purity | 95%+ | Fluorochem |
| Warnings | Irritant | Matrix Scientific |
| PUBCHEM_PATENT_ID | WO2000001692A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.