In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 21 | Yes |
Popular Name: (1S,6R)-6-[[2-(tert-butylamino)-2-oxo-ethyl]-methyl-carbamoyl]cyclohex-3-ene-1-carboxylic (1S,6R)-6-[[2-(tert-butylamino)-…
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) | 1.37 | 6.22 | -50.4 | 1 | 6 | -1 | 90 | 295.359 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.37 | 4.2 | -12.66 | 2 | 6 | 0 | 87 | 296.367 | 5 | ↓ |