| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2010 | 23 | No |
Popular Name: 2-(azocan-1-ylmethyl)-5-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-1,2,4-triazole-3-thione 2-(azocan-1-ylmethyl)-5-[(3R)-1,…
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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) | 1.06 | 8.75 | -48.3 | 1 | 6 | 1 | 61 | 359.541 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.06 | 7.45 | -22.28 | 0 | 6 | 0 | 60 | 358.533 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
