| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 17 | Yes |
Popular Name: (2R)-1-[(1S)-2-amino-1-(3-methyl-2-thienyl)ethyl]pyrrolidine-2-carboxamide (2R)-1-[(1S)-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 | 1.28 | -38.23 | 5 | 4 | 1 | 74 | 254.379 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.69 | -1.08 | -6.75 | 4 | 4 | 0 | 72 | 253.371 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.44 | -0.09 | -30.19 | 4 | 4 | 0 | 77 | 253.371 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.69 | 0.48 | -46.4 | 5 | 4 | 1 | 74 | 254.379 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.69 | 1.66 | -136.82 | 6 | 4 | 2 | 75 | 255.387 | 4 | ↓ |
