| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2008 | 8 | Yes |
4-Amino-1,3,5-triazin-2(1H)-one; 4-amino-s-triazin-2(1H)-one
6-amino-1,2-dihydro-1,3,5-triazin-2-one
| 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) | -1.25 | 0.68 | -53.87 | 4 | 5 | 1 | 86 | 113.1 | 0 | ↓ |
| Mid Mid (pH 6-8) | -1.25 | -0.49 | -28.52 | 3 | 5 | 0 | 85 | 112.092 | 0 | ↓ |
| Mid Mid (pH 6-8) | -0.39 | -1.76 | -45.81 | 2 | 5 | -1 | 88 | 111.084 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 300 - 302 | Enamine Building Blocks |
| MP | 300...302 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.