| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 1st, 2010 | 14 | Yes |
Popular Name: (2S)-N1-methyl-N1-[(1R,2S)-2-methylcyclohexyl]butane-1,2-diamine (2S)-N1-methyl-N1-[(1R,2S)-2-met…
| 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) | 2.23 | 6.09 | -116.6 | 4 | 2 | 2 | 32 | 200.37 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.23 | 4.56 | -37.22 | 3 | 2 | 1 | 31 | 199.362 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.23 | 5.78 | -31.82 | 3 | 2 | 1 | 30 | 199.362 | 4 | ↓ |
