| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2009 | 18 | Yes |
Popular Name: (1S,2S,4R)-N2-butyl-4-(1,1-dimethylpropyl)-N2-methyl-cyclohexane-1,2-diamine (1S,2S,4R)-N2-butyl-4-(1,1-dimet…
| 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) | 3.71 | 8.12 | -114.88 | 4 | 2 | 2 | 32 | 256.478 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.71 | 6.62 | -42.34 | 3 | 2 | 1 | 31 | 255.47 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.71 | 7.88 | -31.99 | 3 | 2 | 1 | 30 | 255.47 | 6 | ↓ |
