| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 22 | Yes |
Popular Name: 3-(4-(7-Chloroquinolin-4-yl)piperazin-1-yl)propanoic acid 3-(4-(7-Chloroquinolin-4-yl)pipe…
Find On: PubMed — Wikipedia — Google
CAS Number: 925673-45-6
| 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) | 2.34 | 10.1 | -89.19 | 2 | 5 | 1 | 62 | 320.8 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.34 | 7.48 | -43.97 | 0 | 5 | -1 | 59 | 318.784 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.34 | 9.69 | -51.94 | 1 | 5 | 0 | 61 | 319.792 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.34 | 7.89 | -62.7 | 1 | 5 | 0 | 61 | 319.792 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
