| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 17 | No |
Popular Name: 5-[methyl(3-thienylmethyl)amino]-4-propyl-1,2,4-triazole-3-thiol 5-[methyl(3-thienylmethyl)amino]…
| 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) | 1.73 | 10.2 | -12.63 | 1 | 4 | 0 | 37 | 268.411 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.46 | 10.25 | -47.84 | 0 | 4 | -1 | 34 | 267.403 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.46 | 10.14 | -41.92 | 1 | 4 | 0 | 35 | 268.411 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
