| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2005 | 19 | No |
Popular Name: thiamine acetate thiamine acetate
3-(2'-methyl-4'-amino-5'-pyrimidylmethyl)-4-methylthiazole-5-acetic acid
C02892; Thiamin acetic acid; Thiamine acetic acid
| 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) | -3.57 | -2.17 | -43.1 | 2 | 6 | 0 | 95 | 278.337 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -3.57 | -2.06 | -91.81 | 3 | 6 | 1 | 97 | 279.345 | 4 | ↓ |
