| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 17 | Yes |
Popular Name: (1S)-1-(2-fluorophenyl)-N-methyl-1-[(1S,3R)-3-methylcyclohexyl]methanamine (1S)-1-(2-fluorophenyl)-N-methyl…
| 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) | 4.09 | 8.64 | -41.12 | 2 | 1 | 1 | 17 | 236.354 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.09 | 7.66 | -2.51 | 1 | 1 | 0 | 12 | 235.346 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
