| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2010 | 13 | No |
Popular Name: 3-(5-amino-3-methyl-2-thienyl)-1,4-dihydro-1,2,4-triazol-5-one 3-(5-amino-3-methyl-2-thienyl)-1…
| 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) | 0.23 | 0.29 | -8.98 | 3 | 5 | 0 | 85 | 196.235 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.23 | 0.29 | -8.29 | 3 | 5 | 0 | 85 | 196.235 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.92 | 0.29 | -8.55 | 4 | 5 | 0 | 88 | 196.235 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
