| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 18 | Yes |
Popular Name: (1S,2S,4R)-N2-isopropyl-N2-methyl-4-phenyl-cyclohexane-1,2-diamine (1S,2S,4R)-N2-isopropyl-N2-methy…
| 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) | 2.61 | 7.08 | -114.22 | 4 | 2 | 2 | 32 | 248.414 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.61 | 7.6 | -32.16 | 3 | 2 | 1 | 30 | 247.406 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.61 | 5.16 | -37.56 | 3 | 2 | 1 | 31 | 247.406 | 3 | ↓ |
