In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 28th, 2011 | 18 | Yes |
Popular Name: [2-[(1S,3R)-3-ethylcyclohexoxy]-6-methyl-3-pyridyl]methanamine [2-[(1S,3R)-3-ethylcyclohexoxy]-…
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) | 2.88 | 4.94 | -42.26 | 3 | 3 | 1 | 50 | 249.378 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.88 | 4.53 | -4.25 | 2 | 3 | 0 | 48 | 248.37 | 4 | ↓ |