| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 20 | Yes |
Popular Name: (3R)-3-(4-isobutylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline (3R)-3-(4-isobutylpiperazin-1-yl…
| 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) | 2.82 | 7.03 | -35.78 | 2 | 3 | 1 | 20 | 274.432 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.82 | 5.08 | -2.81 | 1 | 3 | 0 | 19 | 273.424 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.82 | 7.3 | -90.15 | 3 | 3 | 2 | 24 | 275.44 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
