| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 4th, 2011 | 21 | No |
Popular Name: 2-[[3-(2-bromophenyl)-5-thioxo-4H-1,2,4-triazol-1-yl]methyl-propyl-amino]acetonitrile 2-[[3-(2-bromophenyl)-5-thioxo-4…
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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) | 3.00 | 8.27 | -14.69 | 1 | 5 | 0 | 61 | 366.288 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.73 | 7.9 | -48.84 | 0 | 5 | -1 | 58 | 365.28 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
