| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 21 | Yes |
Popular Name: (1S,2R)-1-(4-isobutylpiperazin-1-yl)-1-(2-pyridyl)butan-2-amine (1S,2R)-1-(4-isobutylpiperazin-1…
| 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) | 1.51 | 6.57 | -95.3 | 4 | 4 | 2 | 48 | 292.471 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.51 | 4.04 | -2.41 | 2 | 4 | 0 | 45 | 290.455 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.51 | 4.37 | -39.77 | 3 | 4 | 1 | 47 | 291.463 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
