In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 28 | Yes |
Popular Name: [(3R,4R)-3-amino-4-(fluoromethyl)-3-methyl-pyrrolidin-1-yl]-fluoro-methyl-oxo-BLAHcarboxylic [(3R,4R)-3-amino-4-(fluoromethyl…
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) | 0.22 | 7.72 | -106.57 | 3 | 7 | 0 | 102 | 393.39 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.22 | 7.57 | -65.64 | 2 | 7 | -1 | 101 | 392.382 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.22 | 5.7 | -63.54 | 4 | 7 | 1 | 99 | 394.398 | 3 | ↓ |
Lo Low (pH 4.5-6) | -2.52 | 5.86 | -90.46 | 4 | 7 | 1 | 105 | 394.398 | 2 | ↓ |