| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2010 | 12 | Yes |
Popular Name: 2-Methylbutyl-2-methylbutyrate 2-Methylbutyl-2-methylbutyrate
Find On: PubMed — Wikipedia — Google
CAS Number: [2445-78-5]
| 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) | 2.95 | 6.97 | -44.14 | 0 | 2 | -1 | 40 | 171.26 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.95 | 4.96 | -4.34 | 1 | 2 | 0 | 37 | 172.268 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.