In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 24th, 2008 | 16 | Yes |
Popular Name: (1R,2S,4S)-4-ethyl-2-[(2S)-2-methyl-1-piperidyl]cyclohexan-1-amine (1R,2S,4S)-4-ethyl-2-[(2S)-2-met…
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) | 2.54 | 7.01 | -116.14 | 4 | 2 | 2 | 32 | 226.408 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.54 | 4.9 | -39.92 | 3 | 2 | 1 | 31 | 225.4 | 2 | ↓ |