| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 18 | Yes |
Popular Name: (3S,4R)-3-(4-isobutylpiperazin-1-yl)-N-methyl-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) | 1.23 | 4.23 | -94.03 | 3 | 4 | 2 | 34 | 257.422 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.23 | 0.63 | -1.8 | 1 | 4 | 0 | 28 | 255.406 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.23 | 2.26 | -36.79 | 2 | 4 | 1 | 32 | 256.414 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.23 | 2.6 | -32.69 | 2 | 4 | 1 | 29 | 256.414 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
