| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 3rd, 2011 | 23 | Yes |
Popular Name: 3-methyl-1-[4-(3-methyl-2-quinolyl)piperazin-1-yl]butan-1-one 3-methyl-1-[4-(3-methyl-2-quinol…
| 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) | 3.63 | 10.8 | -31.44 | 1 | 4 | 1 | 38 | 312.437 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.63 | 10.35 | -10.73 | 0 | 4 | 0 | 36 | 311.429 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
