| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2010 | 16 | Yes |
Popular Name: N-[[2-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]methyl]propan-2-amine N-[[2-methyl-5-(2-thienyl)-1,2,4…
| 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) | 1.70 | 5.98 | -45.46 | 2 | 4 | 1 | 47 | 237.352 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.70 | 4.75 | -8.78 | 1 | 4 | 0 | 43 | 236.344 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
