| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2008 | 17 | Yes |
Popular Name: 4-Pyridinecarboxylic acid, 2-(4-ethyl-1-piperazinyl)- 4-Pyridinecarboxylic acid, 2-(4-…
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CAS Number: 1019323-95-5
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| 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) | 1.27 | 3.37 | -49.98 | 1 | 5 | 0 | 61 | 235.287 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.27 | 5.38 | -67.7 | 1 | 5 | 0 | 61 | 235.287 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.27 | 5.68 | -102.78 | 2 | 5 | 1 | 62 | 236.295 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.27 | 3.07 | -46.42 | 0 | 5 | -1 | 59 | 234.279 | 3 | ↓ |
