In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 26th, 2010 | 24 | Yes |
Popular Name: 2-[[[(1R,2S)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol 2-[[[(1R,2S)-2-[(2-hydroxyphenyl…
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) | 3.95 | 4.25 | -36.97 | 5 | 4 | 1 | 69 | 327.448 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.95 | 4.57 | -41.22 | 5 | 4 | 1 | 69 | 327.448 | 6 | ↓ |