| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 15 | Yes |
Popular Name: 2-methoxy-1-(4-methylthio(2H-2,3,5-triazolyl))benzene 2-methoxy-1-(4-methylthio(2H-2,3…
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CAS Number: 79388-77-5
| 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) | 2.43 | 5.18 | -9.58 | 1 | 4 | 0 | 51 | 221.285 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.43 | 4.98 | -49.02 | 0 | 4 | -1 | 49 | 220.277 | 3 | ↓ |
