In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 3rd, 2011 | 22 | Yes |
Popular Name: 1-[4-(3-methyl-2-quinolyl)piperazin-1-yl]butan-1-one 1-[4-(3-methyl-2-quinolyl)pipera…
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) | 3.41 | 10.24 | -32.04 | 1 | 4 | 1 | 38 | 298.41 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.41 | 9.79 | -11 | 0 | 4 | 0 | 36 | 297.402 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.