| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2010 | 15 | Yes |
Popular Name: 3-Pyridinecarboxylic acid, 2-(butylamino)-, methyl ester (9CI) 3-Pyridinecarboxylic acid, 2-(bu…
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CAS Number: 139094-85-2
| 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) | 2.12 | 5.91 | -6.29 | 1 | 4 | 0 | 51 | 208.261 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.12 | 6.27 | -33.15 | 2 | 4 | 1 | 52 | 209.269 | 6 | ↓ |
