In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 20 | Yes |
Popular Name: 4-chloro-2-[[[(1R,2R,5R)-2-isopropyl-5-methyl-cyclohexyl]amino]methyl]phenol 4-chloro-2-[[[(1R,2R,5R)-2-isopr…
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) | 5.75 | 7.63 | -34.22 | 3 | 2 | 1 | 37 | 296.862 | 4 | ↓ |
Hi High (pH 8-9.5) | 5.75 | 8.39 | -23.63 | 2 | 2 | 0 | 40 | 295.854 | 4 | ↓ |