| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 27th, 2010 | 19 | Yes |
Popular Name: (2S)-2-(4-bromo-2-thienyl)-2-[4-(dimethylaminomethyl)-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) | 2.17 | 5.7 | -95.58 | 4 | 3 | 2 | 35 | 348.354 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.17 | 5.36 | -36.23 | 3 | 3 | 1 | 34 | 347.346 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.17 | 7.16 | -90.6 | 4 | 3 | 2 | 35 | 348.354 | 5 | ↓ |
