In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 2011 | 27 | Yes |
Popular Name: 5-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidyl]pyrazine-2-carboxamide 5-methyl-N-[1-[[3-(trifluorometh…
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) | 2.58 | 7.76 | -48.65 | 2 | 5 | 1 | 59 | 379.406 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.58 | 5.51 | -9.54 | 1 | 5 | 0 | 58 | 378.398 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.23 | 6.71 | -16.78 | 2 | 7 | 0 | 93 | 366.402 | 5 | ↓ |