| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2011 | 19 | Yes |
Popular Name: [4-isopropyl-5-[(1R,3R)-3-methoxycyclohexyl]sulfanyl-1,2,4-triazol-3-yl]methanamine [4-isopropyl-5-[(1R,3R)-3-methox…
| 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) | 1.54 | 5.63 | -52.36 | 3 | 5 | 1 | 68 | 285.437 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.54 | 5.23 | -12.05 | 2 | 5 | 0 | 66 | 284.429 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
