| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2005 | 18 | No |
Popular Name: 4-Amino-3-mercapto-6-(4-methoxy-benzyl)-4H-[1,2,4]triazin-5-one 4-Amino-3-mercapto-6-(4-methoxy-…
| 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) | 1.30 | 2.52 | -32.71 | 2 | 6 | -1 | 89 | 263.302 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.84 | 3.75 | -9.11 | 3 | 6 | 0 | 86 | 264.31 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.30 | 2.65 | -21.03 | 3 | 6 | 0 | 90 | 264.31 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
