| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2008 | 20 | No |
Popular Name: 4-allyl-5-[(1S)-1-(2-methoxyphenoxy)ethyl]-1,2,4-triazole-3-thiol 4-allyl-5-[(1S)-1-(2-methoxyphen…
| 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) | 1.82 | 8.51 | -16.83 | 1 | 5 | 0 | 52 | 291.376 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.55 | 8.35 | -51.35 | 0 | 5 | -1 | 49 | 290.368 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
