In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 9th, 2008 | 10 | Yes |
Popular Name: 3-Isobutylpyridine 3-Isobutylpyridine
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CAS Number: 14159-61-6
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) | 2.00 | 5.39 | -3.42 | 0 | 1 | 0 | 13 | 135.21 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.00 | 5.67 | -30.08 | 1 | 1 | 1 | 14 | 136.218 | 2 | ↓ |
Popular Name: 4-Methyl-3-propylpyridine 4-Methyl-3-propylpyridine
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) | 2.38 | 5.4 | -3.63 | 0 | 1 | 0 | 13 | 135.21 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.38 | 5.86 | -29.47 | 1 | 1 | 1 | 14 | 136.218 | 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 | 5.87 | -3.45 | 0 | 1 | 0 | 13 | 147.221 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.12 | 6.38 | -31.31 | 1 | 1 | 1 | 14 | 148.229 | 3 | ↓ |
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 | 5.83 | -3.44 | 0 | 1 | 0 | 13 | 147.221 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.12 | 6.33 | -31 | 1 | 1 | 1 | 14 | 148.229 | 3 | ↓ |
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) | 1.56 | 5.44 | -4.66 | 0 | 1 | 0 | 13 | 131.178 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.56 | 5.91 | -33.19 | 1 | 1 | 1 | 14 | 132.186 | 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) | 2.38 | 5.82 | -3.57 | 0 | 1 | 0 | 13 | 149.237 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.38 | 6.28 | -29.54 | 1 | 1 | 1 | 14 | 150.245 | 2 | ↓ |