| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 20 | Yes |
Popular Name: (2S)-2-(2,5-dimethyl-3-thienyl)-2-[4-[(1R)-1-methylpropyl]piperazin-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) | 1.86 | 7.08 | -101.43 | 4 | 3 | 2 | 35 | 297.512 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.86 | 5.27 | -41.52 | 3 | 3 | 1 | 34 | 296.504 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.86 | 4.58 | -1.72 | 2 | 3 | 0 | 32 | 295.496 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
