| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 17 | Yes |
Popular Name: (2S)-2-(5-bromo-2-thienyl)-2-[(3R)-3-ethyl-1-piperidyl]ethanamine (2S)-2-(5-bromo-2-thienyl)-2-[(3…
| 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) | 3.21 | 5.08 | -46.46 | 3 | 2 | 1 | 31 | 318.304 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.21 | 4.72 | -2.15 | 2 | 2 | 0 | 29 | 317.296 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.21 | 7.29 | -122.8 | 4 | 2 | 2 | 32 | 319.312 | 4 | ↓ |
