| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 17 | No |
Popular Name: 5-[(3S)-3-ethylmorpholin-4-yl]-4-propyl-1,2,4-triazole-3-thiol 5-[(3S)-3-ethylmorpholin-4-yl]-4…
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) | 1.46 | 7.73 | -45 | 2 | 5 | 1 | 47 | 257.383 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.19 | 7.18 | -45.33 | 0 | 5 | -1 | 43 | 255.367 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.19 | 7.4 | -43.71 | 1 | 5 | 0 | 44 | 256.375 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.46 | 7.96 | -10.24 | 1 | 5 | 0 | 46 | 256.375 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
