| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 11th, 2010 | 20 | Yes |
Popular Name: (2S)-2-(4-bromo-2-thienyl)-2-[(2S)-2-(4-pyridyl)pyrrolidin-1-yl]ethanamine (2S)-2-(4-bromo-2-thienyl)-2-[(2…
| 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) | 2.06 | 5.64 | -45.56 | 3 | 3 | 1 | 44 | 353.309 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.06 | 7.45 | -34.78 | 3 | 3 | 1 | 43 | 353.309 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.06 | 5.64 | -4.46 | 2 | 3 | 0 | 42 | 352.301 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.06 | 6.1 | -108.48 | 4 | 3 | 2 | 45 | 354.317 | 4 | ↓ |
