| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 4th, 2010 | 10 | Yes |
Popular Name: 1,2-Ethanediol, 1-(4-pyridinyl)-, (1S)- (9CI) 1,2-Ethanediol, 1-(4-pyridinyl)-…
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CAS Number: 411233-72-2
| 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 | -2.1 | -7.41 | 2 | 3 | 0 | 53 | 139.154 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.80 | -1.64 | -37.57 | 3 | 3 | 1 | 55 | 140.162 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4057573 | IBM Patent Data |
