| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 19 | Yes |
Popular Name: (2R)-1-[(1R,2S)-2-amino-1-(3-methyl-2-thienyl)butyl]pyrrolidine-2-carboxamide (2R)-1-[(1R,2S)-2-amino-1-(3-met…
| 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) | 1.63 | 2.67 | -31.21 | 5 | 4 | 1 | 74 | 282.433 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.62 | 0.76 | -7.79 | 4 | 4 | 0 | 72 | 281.425 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.62 | 1.17 | -38.84 | 5 | 4 | 1 | 74 | 282.433 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.38 | 1.42 | -23.97 | 4 | 4 | 0 | 77 | 281.425 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.63 | 2.98 | -110.3 | 6 | 4 | 2 | 75 | 283.441 | 5 | ↓ |
