| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 21 | No |
Popular Name: (2R)-N-[(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydrobenzofuran-2-carboxamide (2R)-N-[(4-ethyl-5-sulfanyl-1,2,…
| 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) | 0.47 | 7.33 | -18.13 | 2 | 6 | 0 | 72 | 304.375 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.20 | 7.11 | -46.86 | 1 | 6 | -1 | 69 | 303.367 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![N-[(5-thioxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]coumaran-2-carboxamide](http://zinc12.docking.org/img/rings/310819.gif)