| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 13 | Yes |
Popular Name: (1R,2R,4S)-N2-isopropyl-N2,4-dimethyl-cyclohexane-1,2-diamine (1R,2R,4S)-N2-isopropyl-N2,4-dim…
| 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) | 1.29 | 4.6 | -112.8 | 4 | 2 | 2 | 32 | 186.343 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.29 | 2.63 | -38.35 | 3 | 2 | 1 | 31 | 185.335 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.29 | 4.23 | -26.47 | 3 | 2 | 1 | 30 | 185.335 | 2 | ↓ |
