| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 25th, 2011 | 18 | No |
Popular Name: 3-(azocan-1-ylmethyl)-5-(dimethylamino)-1,3,4-thiadiazole-2-thione 3-(azocan-1-ylmethyl)-5-(dimethy…
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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) | 2.55 | 9.35 | -94.98 | 2 | 4 | 2 | 27 | 288.486 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.55 | 8 | -8.6 | 0 | 4 | 0 | 24 | 286.47 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.55 | 9.25 | -31.79 | 1 | 4 | 1 | 26 | 287.478 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
