| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 16 | No |
Popular Name: 4-isopropyl-5-[(3S)-3-methylmorpholin-4-yl]-1,2,4-triazole-3-thiol 4-isopropyl-5-[(3S)-3-methylmorp…
| 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) | 0.78 | 6.81 | -9.51 | 1 | 5 | 0 | 46 | 242.348 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.51 | 6.13 | -42.97 | 0 | 5 | -1 | 43 | 241.34 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
