| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 15 | No |
Popular Name: 4-ethyl-5-[(3S)-3-methylmorpholin-4-yl]-1,2,4-triazole-3-thiol 4-ethyl-5-[(3S)-3-methylmorpholi…
| 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) | 0.42 | 6.6 | -10.63 | 1 | 5 | 0 | 46 | 228.321 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.15 | 5.83 | -44.53 | 0 | 5 | -1 | 43 | 227.313 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
