| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 18 | Yes |
Popular Name: (2S)-2-(4-isobutylpiperazin-1-yl)-2-(3-thienyl)ethanamine (2S)-2-(4-isobutylpiperazin-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) | 1.33 | 5.04 | -97.38 | 4 | 3 | 2 | 35 | 269.458 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.33 | 3.05 | -42.88 | 3 | 3 | 1 | 34 | 268.45 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.33 | 2.77 | -1.59 | 2 | 3 | 0 | 32 | 267.442 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
