| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 26th, 2010 | 15 | Yes |
Popular Name: (2S)-2-(5-bromo-2-thienyl)-2-[(3S)-3-methylpyrrolidin-1-yl]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) | 2.44 | 3.58 | -46.31 | 3 | 2 | 1 | 31 | 290.25 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.44 | 3.9 | -2.06 | 2 | 2 | 0 | 29 | 289.242 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.44 | 5.91 | -120.28 | 4 | 2 | 2 | 32 | 291.258 | 3 | ↓ |
