| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 29th, 2012 | 38 | No |
Popular Name: Thiamine Disulfide Hydrate Thiamine Disulfide Hydrate
Find On: PubMed — Wikipedia — Google
CAS Number: 67-16-3
| 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) | -1.06 | 5.28 | -24.63 | 6 | 12 | 0 | 185 | 562.722 | 13 | ↓ |
| Mid Mid (pH 6-8) | -1.06 | 5.7 | -44.35 | 7 | 12 | 1 | 186 | 563.73 | 13 | ↓ |
| Mid Mid (pH 6-8) | -1.06 | 5.72 | -48.45 | 7 | 12 | 1 | 186 | 563.73 | 13 | ↓ |
| Lo Low (pH 4.5-6) | -1.06 | 6.15 | -82.51 | 8 | 12 | 2 | 187 | 564.738 | 13 | ↓ |
No pre-computed analogs available. Try a structural similarity search.