| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 18th, 2012 | 15 | No |
Popular Name: 5-(3,4-dihydroxyphenyl)pentanoic acid 5-(3,4-dihydroxyphenyl)pentanoic…
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CAS Number: 31129-94-9
3,4-Dihydroxyphenylvaleric acid
5-(3',4'-Dihydroxyphenyl)-valeric acid
| 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) | 1.69 | 3.27 | -47.74 | 2 | 4 | -1 | 81 | 209.221 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.69 | 1.29 | -10.33 | 3 | 4 | 0 | 78 | 210.229 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| MP | 93 - 95 | Enamine Building Blocks |
| MP | 93...95 | Enamine Building Blocks |
| purity | 95 | Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.