| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 17 | Yes |
Popular Name: (3S,4R)-3-(4-isobutylpiperazin-1-yl)tetrahydropyran-4-amine (3S,4R)-3-(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) | 0.32 | 2.46 | -99.5 | 4 | 4 | 2 | 45 | 243.395 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.32 | 0.49 | -42.13 | 3 | 4 | 1 | 43 | 242.387 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.32 | 1.79 | -32.63 | 3 | 4 | 1 | 43 | 242.387 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.32 | -0.17 | -2.04 | 2 | 4 | 0 | 42 | 241.379 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
