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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
    UCSF
    ZINC Item Suppliers, Protomers, & Similar Substances

    Analogs

    4903896
    4903896
    4903901
    4903901

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[(2,5-difluorophenyl)carbamoyl]-7-isopropylidene-norbornane-2-carboxylic 3-[(2,5-difluorophenyl)carbamoyl…

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    Physical Representations

    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) 3.98 1.91 -46.3 1 4 -1 69 334.342 3 ↓

    Analogs

    15746604
    15746604
    5094787
    5094787
    5094788
    5094788

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[2-(1-cyclohexenyl)ethylcarbamoyl]-7-isopropylidene-norbornane-2-carboxylic 3-[2-(1-cyclohexenyl)ethylcarbam…

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    Physical Representations

    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) 4.40 -0.43 -54.07 1 4 -1 69 330.448 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(benzylcarbamoyl)-7-isopropylidene-norbornane-2-carboxylic 3-(benzylcarbamoyl)-7-isopropyli…

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    Physical Representations

    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) 3.42 -0.41 -54.1 1 4 -1 69 312.389 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

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    Physical Representations

    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) 2.54 0.81 -65.56 1 5 0 64 320.433 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

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    Physical Representations

    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) 2.54 0.93 -74.68 1 5 0 64 320.433 3 ↓

    Analogs

    34981840
    34981840
    34981841
    34981841

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2R,3R,4R)-3-[[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]carbamoyl]-7-isopropylidene-norborn (1S,2R,3R,4R)-3-[[[2-(4-chloro-3…

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    Physical Representations

    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) 4.22 -1.74 -54.46 2 7 -1 107 433.912 6 ↓

    Analogs

    17094904
    17094904
    35861276
    35861276
    35861279
    35861279

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,2R,3R,4S)-3-[[[4-(cyclopentoxy)benzoyl]amino]carbamoyl]-7-isopropylidene-norbornane-2-carboxylat (1R,2R,3R,4S)-3-[[[4-(cyclopento…

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    Physical Representations

    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) 4.27 -2.27 -53.84 2 7 -1 107 425.505 6 ↓

    Analogs

    4794913
    4794913
    4902181
    4902181
    4902182
    4902182
    4902183
    4902183
    4902184
    4902184

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[(3,4-dimethylphenyl)carbamoyl]-7-isopropylidene-norbornane-2-carboxylic 3-[(3,4-dimethylphenyl)carbamoyl…

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    Physical Representations

    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) 4.55 0.86 -55.5 1 4 -1 69 326.416 3 ↓

    Analogs

    4794913
    4794913
    4902181
    4902181
    4902182
    4902182
    4902183
    4902183
    4902184
    4902184

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[(3,4-dimethylphenyl)carbamoyl]-7-isopropylidene-norbornane-2-carboxylic 3-[(3,4-dimethylphenyl)carbamoyl…

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    Physical Representations

    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) 4.55 1 -53.59 1 4 -1 69 326.416 3 ↓

    Parameters Provided:

    ring.id = 1818
filter.purchasability = annotated
page.format = targets
page.num = 1

    Structural Results Found: (before additional filtering)

    SQL Query Was

    SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 1818 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=1818&filter.purchasability=annotated

    Embed Link to Results

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