In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2010 | 20 | Yes |
Popular Name: 2-[[[(1S,3S)-1-(hydroxymethyl)-3-methyl-cyclohexyl]amino]methyl]-5-methoxy-phenol 2-[[[(1S,3S)-1-(hydroxymethyl)-3…
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) | 2.82 | 2.2 | -34.74 | 4 | 4 | 1 | 66 | 280.388 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.82 | 2.96 | -28.74 | 3 | 4 | 0 | 69 | 279.38 | 5 | ↓ |