| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 17 | No |
Popular Name: [(3R)-3-(4-isobutylpiperazin-1-yl)tetrahydrothiophen-3-yl]methanamine [(3R)-3-(4-isobutylpiperazin-1-y…
| 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) | 0.88 | 4.63 | -106.33 | 4 | 3 | 2 | 35 | 259.463 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.88 | 1.87 | -2.33 | 2 | 3 | 0 | 32 | 257.447 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.88 | 2.76 | -47.96 | 3 | 3 | 1 | 34 | 258.455 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.88 | 4.29 | -36.12 | 3 | 3 | 1 | 34 | 258.455 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
