In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2010 | 16 | No |
Popular Name: (3S)-3-(3-chloro-4-hydroxy-phenyl)-2,2-difluoro-3-hydroxy-propanoic (3S)-3-(3-chloro-4-hydroxy-pheny…
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) | 1.40 | 1.37 | -42.91 | 2 | 4 | -1 | 81 | 251.592 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.40 | 2.55 | -193.03 | 0 | 4 | -3 | 86 | 249.576 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.40 | 1.78 | -123.99 | 1 | 4 | -2 | 83 | 250.584 | 3 | ↓ |