| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2010 | 19 | Yes |
Popular Name: (2S)-2-(4-bromo-2-thienyl)-2-(4-tert-butyl-1-piperidyl)ethanamine (2S)-2-(4-bromo-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) | 3.84 | 5.72 | -44.34 | 3 | 2 | 1 | 31 | 346.358 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.84 | 5.36 | -1.86 | 2 | 2 | 0 | 29 | 345.35 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.84 | 7.61 | -35.11 | 3 | 2 | 1 | 30 | 346.358 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.84 | 7.94 | -122.69 | 4 | 2 | 2 | 32 | 347.366 | 4 | ↓ |
