| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 11th, 2010 | 19 | Yes |
Popular Name: (2S)-1-[(1S)-2-amino-1-(4-bromo-2-thienyl)ethyl]-N,N-dimethyl-pyrrolidine-2-carboxamide (2S)-1-[(1S)-2-amino-1-(4-bromo-…
| 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) | 0.66 | 5.91 | -33.5 | 3 | 4 | 1 | 51 | 347.302 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.66 | 3.56 | -7.94 | 2 | 4 | 0 | 50 | 346.294 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.66 | 3.06 | -44.97 | 3 | 4 | 1 | 51 | 347.302 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.66 | 5.02 | -116.68 | 4 | 4 | 2 | 52 | 348.31 | 4 | ↓ |
