In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2010 | 15 | Yes |
Popular Name: 3,4-Pyridinedicarboxylic acid, 5-hydroxy-2,6-dimethyl- 3,4-Pyridinedicarboxylic acid, 5…
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CAS Number: 90564-35-5
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) | 0.31 | 4.77 | -159.92 | 1 | 6 | -2 | 117 | 209.157 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.31 | 3.77 | -102.16 | 2 | 6 | -1 | 115 | 210.165 | 2 | ↓ |