In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 21 | Yes |
Popular Name: (2S)-2-[[(4R)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]amino]-3-methyl-butanoic (2S)-2-[[(4R)-6-fluoro-1,1-dioxo…
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) | -0.79 | 4.87 | -39.39 | 2 | 5 | 0 | 91 | 315.366 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.79 | 3.8 | -47.14 | 1 | 5 | -1 | 86 | 314.358 | 4 | ↓ |