| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 20 | Yes |
Popular Name: (1S,2R,4R)-N2-methyl-N2-[(2S)-2-methylbutyl]-4-phenyl-cyclohexane-1,2-diamine (1S,2R,4R)-N2-methyl-N2-[(2S)-2-…
| 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) | 3.56 | 9.71 | -127.53 | 4 | 2 | 2 | 32 | 276.468 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.56 | 8.07 | -43.27 | 3 | 2 | 1 | 31 | 275.46 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.56 | 9.44 | -34.42 | 3 | 2 | 1 | 30 | 275.46 | 5 | ↓ |
