| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2010 | 12 | Yes |
Popular Name: 5-(piperidin-3-yl)-2,3-dihydro-1H-1,2,4-triazol-3-one hydrochloride 5-(piperidin-3-yl)-2,3-dihydro-1…
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CAS Number: 1803561-58-1
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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) | -0.59 | -1.48 | -75.73 | 4 | 5 | 1 | 82 | 169.208 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.59 | -1.43 | -70.83 | 3 | 5 | 0 | 81 | 168.2 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -1.05 | 0.12 | -52.41 | 4 | 5 | 1 | 78 | 169.208 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.
