| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 13th, 2008 | 16 | Yes |
Popular Name: 1,5-PENTANEDIOIC ACID MONOBENZYL ESTER 1,5-PENTANEDIOIC ACID MONOBENZYL…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1197193-20-6 , 54322-10-0
| 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) | 1.75 | 7.49 | -51.04 | 0 | 4 | -1 | 66 | 221.232 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Purity | 97% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.