| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 13 | Yes |
Popular Name: (1R,2S)-N1-cyclopropyl-N1-ethyl-cyclohexane-1,2-diamine (1R,2S)-N1-cyclopropyl-N1-ethyl-…
| 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) | 1.35 | 5.35 | -109.34 | 4 | 2 | 2 | 32 | 184.327 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.35 | 3.41 | -37.02 | 3 | 2 | 1 | 31 | 183.319 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.35 | 5.11 | -27.66 | 3 | 2 | 1 | 30 | 183.319 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
