| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 19 | Yes |
Popular Name: (3R,4S)-N-ethyl-3-(4-isobutylpiperazin-1-yl)tetrahydropyran-4-amine (3R,4S)-N-ethyl-3-(4-isobutylpip…
| 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) | 1.61 | 5.16 | -93.21 | 3 | 4 | 2 | 34 | 271.449 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.61 | 1.74 | -1.62 | 1 | 4 | 0 | 28 | 269.433 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.61 | 3.19 | -35.42 | 2 | 4 | 1 | 32 | 270.441 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.61 | 3.61 | -32.54 | 2 | 4 | 1 | 29 | 270.441 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
