| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 17 | Yes |
Popular Name: (1R,2S,4R)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,4-dimethyl-cyclohexanamine (1R,2S,4R)-N-[(4,5-dimethyl-1,2,…
| 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) | 1.36 | 7.63 | -45.82 | 2 | 4 | 1 | 47 | 237.371 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.36 | 6.6 | -9.1 | 1 | 4 | 0 | 43 | 236.363 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
