| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 38 | No |
Popular Name: Thiamine Disulfide Nitrate Thiamine Disulfide Nitrate
| 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) | -0.80 | 4.29 | -21.84 | 6 | 12 | 0 | 185 | 562.722 | 13 | ↓ |
| Mid Mid (pH 6-8) | -0.80 | 4.74 | -48.41 | 7 | 12 | 1 | 186 | 563.73 | 13 | ↓ |
| Lo Low (pH 4.5-6) | -0.80 | -6.41 | -73.11 | 8 | 12 | 2 | 187 | 564.738 | 13 | ↓ |
| Lo Low (pH 4.5-6) | -0.80 | -6.53 | -44.2 | 7 | 12 | 1 | 185 | 563.73 | 13 | ↓ |
| Lo Low (pH 4.5-6) | -0.80 | 5.18 | -90.66 | 8 | 12 | 2 | 187 | 564.738 | 13 | ↓ |
