| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 18 | Yes |
Popular Name: (1S,2S,4R)-4-tert-butyl-N2-isopropyl-N2-propyl-cyclohexane-1,2-diamine (1S,2S,4R)-4-tert-butyl-N2-isopr…
| 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) | 3.49 | 7.69 | -112 | 4 | 2 | 2 | 32 | 256.478 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.49 | 5.6 | -0.01 | 2 | 2 | 0 | 29 | 254.462 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.49 | 6.39 | -43.1 | 3 | 2 | 1 | 31 | 255.47 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.49 | 7.44 | -28.51 | 3 | 2 | 1 | 30 | 255.47 | 5 | ↓ |
