In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 17 | Yes |
Popular Name: (1R,3R)-N-[(4-chloro-3-fluoro-phenyl)methyl]-3-methyl-cyclohexanamine (1R,3R)-N-[(4-chloro-3-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) | 4.18 | 8.59 | -46.97 | 2 | 1 | 1 | 17 | 256.772 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.18 | 7.41 | -3.08 | 1 | 1 | 0 | 12 | 255.764 | 3 | ↓ |