| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2008 | 14 | Yes |
Popular Name: 2-(Quinolin-4-yl)acetic acid 2-(Quinolin-4-yl)acetic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 109922-57-8 , 486-74-8 , [109922-57-8]
| 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) | 1.60 | 5.18 | -48.76 | 0 | 3 | -1 | 53 | 186.19 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.60 | 5.6 | -55.47 | 1 | 3 | 0 | 54 | 187.198 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.