| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 21 | No |
Popular Name: (2S)-2-amino-1-[(2S)-2-(3-methylisoxazol-5-yl)pyrrolidin-1-yl]-4-methylsulfonyl-butan-1-one (2S)-2-amino-1-[(2S)-2-(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) | -0.87 | 0.69 | -69.66 | 3 | 7 | 1 | 108 | 316.403 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.87 | 0.37 | -24.81 | 2 | 7 | 0 | 107 | 315.395 | 5 | ↓ |
