| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 20 | Yes |
Popular Name: (2S)-2-(5-methyl-2-thienyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine (2S)-2-(5-methyl-2-thienyl)-2-[4…
| 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) | 1.67 | 2.66 | -48.82 | 3 | 3 | 1 | 34 | 308.393 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.67 | 2.6 | -3.92 | 2 | 3 | 0 | 32 | 307.385 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.67 | 4.77 | -111.9 | 4 | 3 | 2 | 35 | 309.401 | 5 | ↓ |
