| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 12th, 2013 | 14 | Yes |
Popular Name: 5-HYDROXYPYRIDINE-3,4-DICARBOXYLIC ACID METHYL ESTER 5-HYDROXYPYRIDINE-3,4-DICARBOXYL…
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CAS Number: 243980-03-2
| 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) | -0.04 | 2.34 | -52 | 1 | 6 | -1 | 100 | 196.138 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.04 | 3.35 | -124.31 | 0 | 6 | -2 | 102 | 195.13 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.