| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 1st, 2008 | 38 | No |
Popular Name: Thiobenzoic acid Thiobenzoic acid
D04890; Thiamine disulfide nitrate (JAN)
LS-150413; Thiamindisulfid-monoorotat [German]; Thiamine, disulfide, orotate; Thiooratin
| 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 | 3.05 | -21.18 | 6 | 12 | 0 | 185 | 562.722 | 13 | ↓ |
| Mid Mid (pH 6-8) | -0.80 | 3.49 | -45.11 | 7 | 12 | 1 | 186 | 563.73 | 13 | ↓ |
| Mid Mid (pH 6-8) | -0.80 | 4.54 | -43.76 | 7 | 12 | 1 | 186 | 563.73 | 13 | ↓ |
| Lo Low (pH 4.5-6) | -0.80 | 3.94 | -87.67 | 8 | 12 | 2 | 187 | 564.738 | 13 | ↓ |
