| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2010 | 17 | Yes |
Popular Name: (1S,3R)-1-(5-isopropyl-2-methyl-1,2,4-triazol-3-yl)-3-methyl-cyclohexanamine (1S,3R)-1-(5-isopropyl-2-methyl-…
| 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) | 2.07 | 5.28 | -44.65 | 3 | 4 | 1 | 58 | 237.371 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.07 | 5.54 | -6.4 | 2 | 4 | 0 | 57 | 236.363 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
