| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2010 | 15 | Yes |
Popular Name: (2S)-N1,N2-dimethyl-N2-[(1R,2S)-2-methylcyclohexyl]butane-1,2-diamine (2S)-N1,N2-dimethyl-N2-[(1R,2S)-…
| 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) | 3.14 | 7.26 | -108.88 | 3 | 2 | 2 | 21 | 214.397 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.14 | 5.84 | -28.18 | 2 | 2 | 1 | 16 | 213.389 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.14 | 6.06 | -34.58 | 2 | 2 | 1 | 20 | 213.389 | 5 | ↓ |
