| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 18 | Yes |
Popular Name: (1S,2S,4R)-4-(1,1-dimethylpropyl)-N2-ethyl-N2-propyl-cyclohexane-1,2-diamine (1S,2S,4R)-4-(1,1-dimethylpropyl…
| 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) | 3.53 | 7.73 | -112.29 | 4 | 2 | 2 | 32 | 256.478 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.53 | 7.48 | -29.97 | 3 | 2 | 1 | 30 | 255.47 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.53 | 6.03 | -42.85 | 3 | 2 | 1 | 31 | 255.47 | 6 | ↓ |
