| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 3rd, 2011 | 24 | Yes |
Popular Name: 2-ethyl-1-[4-(3-methyl-2-quinolyl)piperazin-1-yl]butan-1-one 2-ethyl-1-[4-(3-methyl-2-quinoly…
| 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) | 4.10 | 11.03 | -32.11 | 1 | 4 | 1 | 38 | 326.464 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.10 | 10.62 | -10.6 | 0 | 4 | 0 | 36 | 325.456 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
