| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 19 | Yes |
Popular Name: (2R)-1-[(1R,2S)-2-amino-1-(5-bromo-2-thienyl)propyl]-N-methyl-pyrrolidine-2-carboxamide (2R)-1-[(1R,2S)-2-amino-1-(5-bro…
| 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) | 1.46 | 3.54 | -37.31 | 4 | 4 | 1 | 60 | 347.302 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.46 | 1.97 | -8.14 | 3 | 4 | 0 | 58 | 346.294 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.46 | 2.04 | -42.23 | 4 | 4 | 1 | 60 | 347.302 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.46 | 3.86 | -119.3 | 5 | 4 | 2 | 61 | 348.31 | 4 | ↓ |
