In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 3rd, 2011 | 22 | Yes |
Popular Name: 2-methyl-1-[4-(3-methyl-2-quinolyl)piperazin-1-yl]propan-1-one 2-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) | 3.10 | 9.81 | -32.14 | 1 | 4 | 1 | 38 | 298.41 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.10 | 9.36 | -10.69 | 0 | 4 | 0 | 36 | 297.402 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.