| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 18 | No |
Popular Name: 5-[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]-4-propyl-1,2,4-triazole-3-thiol 5-[(2S,5S)-5-ethyl-2-methyl-morp…
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| 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 | 8.44 | -42.8 | 2 | 5 | 1 | 47 | 271.41 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.55 | 9.41 | -43.97 | 0 | 5 | -1 | 43 | 269.394 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.55 | 8.13 | -40.93 | 1 | 5 | 0 | 44 | 270.402 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.82 | 8.96 | -9.59 | 1 | 5 | 0 | 46 | 270.402 | 4 | ↓ |
