In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 20 | Yes |
Popular Name: (1R,2S)-2-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclohexanamine (1R,2S)-2-(trifluoromethyl)-N-[(…
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) | 3.01 | 7.67 | -40.07 | 2 | 3 | 1 | 34 | 290.353 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.01 | 6.79 | -7 | 1 | 3 | 0 | 30 | 289.345 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.