| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2008 | 19 | Yes |
Popular Name: (1S,2R,4S)-N'-butyl-N'-methyl-4-phenyl-cyclohexane-1,2-diamine (1S,2R,4S)-N'-butyl-N'-methyl-4-…
| 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) | 3.37 | 9.19 | -127 | 4 | 2 | 2 | 32 | 262.441 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.37 | 7.51 | -45.62 | 3 | 2 | 1 | 31 | 261.433 | 5 | ↓ |
