In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2011 | 21 | Yes |
Popular Name: 2-[(2R)-3-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-yl]acetic 2-[(2R)-3-oxo-1-[4-(trifluoromet…
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) | 0.58 | 5.35 | -48.59 | 1 | 7 | -1 | 98 | 303.22 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.58 | 3.36 | -11.86 | 2 | 7 | 0 | 95 | 304.228 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.