| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2009 | 15 | Yes |
Popular Name: (3S,4R)-3-(4-ethylpiperazin-1-yl)tetrahydropyran-4-amine (3S,4R)-3-(4-ethylpiperazin-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) | -0.42 | 1.02 | -97.44 | 4 | 4 | 2 | 45 | 215.341 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.42 | -1.25 | -42.35 | 3 | 4 | 1 | 43 | 214.333 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.42 | 0.39 | -29.35 | 3 | 4 | 1 | 43 | 214.333 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.42 | 0.74 | -120.25 | 4 | 4 | 2 | 45 | 215.341 | 2 | ↓ |
