| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 21 | Yes |
Popular Name: 5-{8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-4-yloxy}pentanoic acid 5-{8-oxatricyclo[7.4.0.0^{2,7}]t…
Find On: PubMed — Wikipedia — Google
CAS Number: 1094702-67-6
| 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) | 3.90 | 9.7 | -47.74 | 0 | 4 | -1 | 63 | 283.303 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.90 | 7.72 | -11.68 | 1 | 4 | 0 | 60 | 284.311 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 114 - 116 | Enamine Building Blocks |
| MP | 114...116 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.
