| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2010 | 12 | Yes |
Popular Name: 5-(piperidin-2-yl)-2,3-dihydro-1H-1,2,4-triazol-3-one hydrochloride 5-(piperidin-2-yl)-2,3-dihydro-1…
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CAS Number: 1803606-37-2
| 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) | -0.21 | 0.35 | -45.9 | 4 | 5 | 1 | 78 | 169.208 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.21 | -0.96 | -6.59 | 3 | 5 | 0 | 74 | 168.2 | 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.
