| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 23 | Yes |
Popular Name: 8-ethyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]quinoline-3-carbonitrile 8-ethyl-4-[4-(2-hydroxyethyl)pip…
| 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) | 2.14 | 5.05 | -8.27 | 1 | 5 | 0 | 63 | 310.401 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.14 | 5.4 | -36.43 | 2 | 5 | 1 | 65 | 311.409 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.14 | 7.36 | -43.46 | 2 | 5 | 1 | 65 | 311.409 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.14 | 7.71 | -89.73 | 3 | 5 | 2 | 66 | 312.417 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
