| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 17 | Yes |
Popular Name: (1S,2S,4R)-4-tert-butyl-N2-cyclopropyl-N2-ethyl-cyclohexane-1,2-diamine (1S,2S,4R)-4-tert-butyl-N2-cyclo…
| 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) | 2.68 | 7.09 | -109.7 | 4 | 2 | 2 | 32 | 240.435 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.68 | 6.82 | -28.44 | 3 | 2 | 1 | 30 | 239.427 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.68 | 5.68 | -42.91 | 3 | 2 | 1 | 31 | 239.427 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
