| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2010 | 13 | Yes |
Popular Name: 3-methyl-2-(pyridin-3-yl)butanoic acid 3-methyl-2-(pyridin-3-yl)butanoi…
Find On: PubMed — Wikipedia — Google
CAS Number: 699527-72-5
| 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) | 1.04 | 5.71 | -47.72 | 0 | 3 | -1 | 53 | 178.211 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.04 | 6.22 | -51.17 | 1 | 3 | 0 | 54 | 179.219 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
