In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 20th, 2010 | 26 | Yes |
Popular Name: 2-[4-(8-isopropyl-4-methyl-2-quinolyl)piperazin-1-yl]-N,N-dimethyl-acetamide 2-[4-(8-isopropyl-4-methyl-2-qui…
None
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) | 2.86 | 11.48 | -92.81 | 2 | 5 | 2 | 42 | 356.514 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.86 | 9.12 | -11.7 | 0 | 5 | 0 | 40 | 354.498 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.86 | 9.32 | -27.75 | 1 | 5 | 1 | 41 | 355.506 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.86 | 11.28 | -41.97 | 1 | 5 | 1 | 41 | 355.506 | 4 | ↓ |