| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 2nd, 2012 | 13 | Yes |
Popular Name: 1-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane 1-(3-methyl-1,2,4-thiadiazol-5-y…
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CAS Number: 1354961-32-2
| 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 | 3.94 | -48.94 | 2 | 4 | 1 | 46 | 199.303 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.21 | 2.61 | -6.77 | 1 | 4 | 0 | 41 | 198.295 | 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.
