| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2009 | 15 | No |
Popular Name: 1,3,4-Oxadiazole-2(3H)-thione, 5-[(1-ethyl-5-methyl-1H-1,2,4-triazol-3-yl)methyl]- (9CI) 1,3,4-Oxadiazole-2(3H)-thione, 5…
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CAS Number: 817568-84-6
| 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) | 0.01 | 0.36 | -47.58 | 0 | 6 | -1 | 70 | 224.269 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.72 | 1.13 | -15.38 | 1 | 6 | 0 | 73 | 225.277 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
