In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2010 | 21 | Yes |
Popular Name: 4-[2-[methyl-[(1R,3S)-3-methylcyclohexyl]amino]ethoxy]benzoic 4-[2-[methyl-[(1R,3S)-3-methylcy…
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) | 3.85 | 10.38 | -72.2 | 1 | 4 | 0 | 54 | 291.391 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.85 | 7.86 | -48.13 | 0 | 4 | -1 | 53 | 290.383 | 6 | ↓ |