| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 26 | Yes |
Popular Name: DIETHYL2,2'-[CARBONYLBIS(OXY)]BISBENZOATE DIETHYL2,2'-[CARBONYLBIS(OXY)]BI…
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CAS Number: 118-27-4
| 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) | 4.70 | 5.88 | -21.05 | 0 | 7 | 0 | 88 | 358.346 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81170-1-O | LNCaP (Prostate Carcinoma) (cluster #1 Of 5), Other | Other | 4500 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81170 | Z81170 | LNCaP (Prostate Carcinoma) | 4500 | 0.29 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.