In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 17 | Yes |
Popular Name: (1S,3S)-3-[(2-chloro-6-fluoro-phenyl)methylamino]cyclohexanol (1S,3S)-3-[(2-chloro-6-fluoro-ph…
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) | 2.76 | 4.89 | -30.61 | 3 | 2 | 1 | 37 | 258.744 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.76 | 3.69 | -4.47 | 2 | 2 | 0 | 32 | 257.736 | 3 | ↓ |