| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2011 | 17 | Yes |
Popular Name: [5-[(1S,3R)-3-methoxycyclohexyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methanamine [5-[(1S,3R)-3-methoxycyclohexyl]…
| 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) | 0.80 | 4.32 | -52.11 | 3 | 5 | 1 | 68 | 257.383 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.80 | 3.92 | -8.6 | 2 | 5 | 0 | 66 | 256.375 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
