| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 20 | Yes |
Popular Name: (2S)-2-(2,5-dimethyl-3-thienyl)-2-(4-isobutylpiperazin-1-yl)ethanamine (2S)-2-(2,5-dimethyl-3-thienyl)-…
| 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) | 1.77 | 6.77 | -116.67 | 4 | 3 | 2 | 35 | 297.512 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.77 | 4.76 | -46.82 | 3 | 3 | 1 | 34 | 296.504 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.77 | 4.7 | -2.61 | 2 | 3 | 0 | 32 | 295.496 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
