In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 28th, 2011 | 21 | Yes |
Popular Name: (1R)-2-[(1S,3S)-3-ethylcyclohexoxy]-1-(2-methoxy-5-methyl-phenyl)ethanamine (1R)-2-[(1S,3S)-3-ethylcyclohexo…
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) | 2.44 | 7.51 | -40.31 | 3 | 3 | 1 | 46 | 292.443 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.44 | 7.17 | -3.83 | 2 | 3 | 0 | 44 | 291.435 | 6 | ↓ |