In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 15th, 2009 | 34 | Yes |
Popular Name: 6-[[2-(3-methylphenoxy)acetyl]amino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic 6-[[2-(3-methylphenoxy)acetyl]am…
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) | 4.22 | 11.33 | -72.35 | 2 | 8 | 0 | 99 | 462.55 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.22 | 9.03 | -53.56 | 1 | 8 | -1 | 98 | 461.542 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.22 | 11.59 | -102.48 | 3 | 8 | 1 | 100 | 463.558 | 8 | ↓ |