| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 17 | Yes |
Popular Name: (2R)-1-[(1R)-2-amino-1-(3-methyl-2-thienyl)ethyl]pyrrolidine-2-carboxamide (2R)-1-[(1R)-2-amino-1-(3-methyl…
| 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) | 0.69 | 2.04 | -28.03 | 5 | 4 | 1 | 74 | 254.379 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.69 | 0.35 | -5.39 | 4 | 4 | 0 | 72 | 253.371 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.44 | 0.89 | -23.98 | 4 | 4 | 0 | 77 | 253.371 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.69 | -0.29 | -42.91 | 5 | 4 | 1 | 74 | 254.379 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.69 | 2.06 | -115.67 | 6 | 4 | 2 | 75 | 255.387 | 4 | ↓ |
