| 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)butyl]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) | 2.18 | 2.88 | -38.05 | 5 | 4 | 1 | 74 | 347.302 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.18 | 1.21 | -7.48 | 4 | 4 | 0 | 72 | 346.294 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.18 | 1.51 | -45.8 | 5 | 4 | 1 | 74 | 347.302 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.93 | 1.64 | -28.26 | 4 | 4 | 0 | 77 | 346.294 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.18 | 3.18 | -120.08 | 6 | 4 | 2 | 75 | 348.31 | 5 | ↓ |
