| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 5th, 2005 | 21 | No |
Popular Name: Trimethylolpropane Tris(thioglycolate) Trimethylolpropane Tris(thioglyc…
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CAS Number: 10193-96-1
| 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) | 1.81 | 1.92 | -13.3 | 0 | 6 | 0 | 78 | 356.487 | 13 | ↓ |
| Hi High (pH 8-9.5) | 1.81 | 0.96 | -50.73 | 0 | 6 | -1 | 78 | 355.479 | 13 | ↓ |
| Hi High (pH 8-9.5) | 1.81 | 0 | -96.12 | 0 | 6 | -2 | 78 | 354.471 | 13 | ↓ |
| Hi High (pH 8-9.5) | 1.81 | -0.96 | -163.87 | 0 | 6 | -3 | 78 | 353.463 | 13 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 245 / 1 | TCI |
No pre-computed analogs available. Try a structural similarity search.