| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 25th, 2011 | 17 | No |
Popular Name: 3-[[butyl(ethyl)amino]methyl]-5-(dimethylamino)-1,3,4-thiadiazole-2-thione 3-[[butyl(ethyl)amino]methyl]-5-…
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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) | 2.44 | 9.26 | -94.96 | 2 | 4 | 2 | 27 | 276.475 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.44 | 9.14 | -32.77 | 1 | 4 | 1 | 26 | 275.467 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.44 | 7.01 | -8.39 | 0 | 4 | 0 | 24 | 274.459 | 7 | ↓ |
