| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2011 | 28 | Yes |
Popular Name: [(3S,4S)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-fluoro-methyl-oxo-BLAHcarboxylic [(3S,4S)-3-amino-4-(difluorometh…
| 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) | -0.49 | 7.83 | -104.65 | 3 | 7 | 0 | 102 | 397.353 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.49 | 7.59 | -63.77 | 2 | 7 | -1 | 101 | 396.345 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.49 | 5.83 | -62.68 | 4 | 7 | 1 | 99 | 398.361 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -3.23 | 5.95 | -92.19 | 4 | 7 | 1 | 105 | 398.361 | 2 | ↓ |
