In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 20 | Yes |
Popular Name: 2-[(1S)-1-[[(1S,2R)-2-ethylcyclohexyl]amino]ethyl]-5-methoxy-phenol 2-[(1S)-1-[[(1S,2R)-2-ethylcyclo…
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) | 4.68 | 6.4 | -37.81 | 3 | 3 | 1 | 46 | 278.416 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.68 | 7.12 | -38.2 | 2 | 3 | 0 | 49 | 277.408 | 5 | ↓ |