| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2008 | 15 | Yes |
Popular Name: 3-(Tetrazol-1-yl)-quinoline 3-(Tetrazol-1-yl)-quinoline
Find On: PubMed — Wikipedia — Google
CAS Number: 111359-80-9
| 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) | 1.57 | 3.31 | -46.77 | 0 | 5 | -1 | 66 | 196.193 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.57 | 3.72 | -36.48 | 1 | 5 | 0 | 67 | 197.201 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO1998000403A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.