| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 14th, 2008 | 12 | Yes |
Popular Name: 1-(3-Pyridinyl)-1,4-butanediol; 76014-83-0; C19582 1-(3-Pyridinyl)-1,4-butanediol; …
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CAS Number: 76014-83-0
| 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) | -0.20 | -0.78 | -7.26 | 2 | 3 | 0 | 53 | 167.208 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.20 | -0.5 | -36.92 | 3 | 3 | 1 | 55 | 168.216 | 4 | ↓ |
