In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 21 | Yes |
Popular Name: (1S,2S)-1-(4-fluorophenyl)-N1-methyl-N1-(4-methylcyclohexyl)butane-1,2-diamine (1S,2S)-1-(4-fluorophenyl)-N1-me…
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) | 3.51 | 7.59 | -44.81 | 3 | 2 | 1 | 31 | 293.45 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.51 | 8.43 | -37.88 | 3 | 2 | 1 | 30 | 293.45 | 5 | ↓ |