In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 14 | Yes |
Popular Name: 3,4-Pyridinedimethanol, 5-ethoxy-6-methyl- (9CI) 3,4-Pyridinedimethanol, 5-ethoxy…
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CAS Number: 765235-25-4
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) | 0.11 | -1.52 | -9.1 | 2 | 4 | 0 | 63 | 197.234 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.11 | -1.11 | -28.72 | 3 | 4 | 1 | 64 | 198.242 | 4 | ↓ |