| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 16 | No |
Popular Name: 5-[(3S)-3-methylmorpholin-4-yl]-4-propyl-1,2,4-triazole-3-thiol 5-[(3S)-3-methylmorpholin-4-yl]-…
None
| 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) | 0.92 | 7.23 | -45.35 | 2 | 5 | 1 | 47 | 243.356 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.65 | 6.58 | -44.89 | 0 | 5 | -1 | 43 | 241.34 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.65 | 6.81 | -43.8 | 1 | 5 | 0 | 44 | 242.348 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.92 | 7.36 | -10.34 | 1 | 5 | 0 | 46 | 242.348 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
