| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 25th, 2011 | 22 | No |
Popular Name: 5-(dimethylamino)-3-[[4-(3,3-dimethylbutyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole-2-thione 5-(dimethylamino)-3-[[4-(3,3-dim…
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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) | 2.50 | 8.83 | -42.31 | 1 | 5 | 1 | 29 | 344.574 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.50 | 6.6 | -8.59 | 0 | 5 | 0 | 28 | 343.566 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
