| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2010 | 12 | No |
Popular Name: 3-(5-amino-2-thienyl)-1,4-dihydro-1,2,4-triazol-5-one 3-(5-amino-2-thienyl)-1,4-dihydr…
None
| 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) | -0.32 | -0.29 | -9.24 | 3 | 5 | 0 | 85 | 182.208 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.32 | -0.29 | -9.91 | 3 | 5 | 0 | 85 | 182.208 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.54 | -0.51 | -8.61 | 4 | 5 | 0 | 88 | 182.208 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
