In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2011 | 24 | Yes |
Popular Name: (2S)-2-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexanone (2S)-2-methyl-2-[4-[3-(trifluoro…
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) | 3.82 | 8.1 | -7.82 | 0 | 3 | 0 | 24 | 340.389 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.82 | 10.1 | -37.92 | 1 | 3 | 1 | 25 | 341.397 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.