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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [(Z)-[(1S,3Z,4R)-3-benzylidene-1,7,7-trimethyl-norbornan-2-ylidene]amino] [(Z)-[(1S,3Z,4R)-3-benzylidene-1…

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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) 6.48 13.78 -10.01 0 3 0 39 339.479 4 ↓

Analogs

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Popular Name: [(Z)-[(1R,3Z,4S)-3-benzylidene-1,7,7-trimethyl-norbornan-2-ylidene]amino] [(Z)-[(1R,3Z,4S)-3-benzylidene-1…

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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) 6.48 13.77 -10.08 0 3 0 39 339.479 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(Z)-[(1S,3Z,4R)-3-benzylidene-1,7,7-trimethyl-norbornan-2-ylidene]amino] [(Z)-[(1S,3Z,4R)-3-benzylidene-1…

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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) 6.88 14.77 -9.6 0 3 0 39 377.459 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(Z)-[(1R,3Z,4S)-3-benzylidene-1,7,7-trimethyl-norbornan-2-ylidene]amino] [(Z)-[(1R,3Z,4S)-3-benzylidene-1…

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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) 6.88 14.77 -9.72 0 3 0 39 377.459 4 ↓

Analogs

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Popular Name: [(Z)-[(1S,3Z,4R)-3-[(4-chlorophenyl)methylene]-1,7,7-trimethyl-norbornan-2-ylidene]amino] [(Z)-[(1S,3Z,4R)-3-[(4-chlorophe…

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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) 6.42 11.25 -10.5 1 4 0 51 388.939 4 ↓

Analogs

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Popular Name: [(Z)-[(1R,3Z,4S)-3-[(4-chlorophenyl)methylene]-1,7,7-trimethyl-norbornan-2-ylidene]amino] [(Z)-[(1R,3Z,4S)-3-[(4-chlorophe…

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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) 6.42 11.28 -10.53 1 4 0 51 388.939 4 ↓

Analogs

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Popular Name: [(Z)-[(1S,3Z,4R)-3-[(4-fluorophenyl)methylene]-1,7,7-trimethyl-norbornan-2-ylidene]amino] [(Z)-[(1S,3Z,4R)-3-[(4-fluorophe…

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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) 6.88 14.77 -12.97 0 3 0 39 377.459 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(Z)-[(1R,3Z,4S)-3-[(4-fluorophenyl)methylene]-1,7,7-trimethyl-norbornan-2-ylidene]amino] [(Z)-[(1R,3Z,4S)-3-[(4-fluorophe…

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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) 6.88 14.77 -13.05 0 3 0 39 377.459 4 ↓

Analogs

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Popular Name: [(Z)-[(1S,3Z,4R)-3-[(4-methoxyphenyl)methylene]-1,7,7-trimethyl-norbornan-2-ylidene]amino] [(Z)-[(1S,3Z,4R)-3-[(4-methoxyph…

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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) 6.54 13.08 -12.65 0 4 0 48 369.505 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(Z)-[(1R,3Z,4S)-3-[(4-methoxyphenyl)methylene]-1,7,7-trimethyl-norbornan-2-ylidene]amino] [(Z)-[(1R,3Z,4S)-3-[(4-methoxyph…

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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) 6.54 13.09 -12.58 0 4 0 48 369.505 5 ↓

Analogs

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Popular Name: [(Z)-[(1S,3Z,4R)-3-(1,3-benzodioxol-5-ylmethylene)-1,7,7-trimethyl-norbornan-2-ylidene]amino] [(Z)-[(1S,3Z,4R)-3-(1,3-benzodio…

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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) 6.48 14.22 -14.28 0 5 0 57 417.505 5 ↓

Analogs

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Popular Name: [(Z)-[(1R,3Z,4S)-3-(1,3-benzodioxol-5-ylmethylene)-1,7,7-trimethyl-norbornan-2-ylidene]amino] [(Z)-[(1R,3Z,4S)-3-(1,3-benzodio…

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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) 6.48 14.24 -13.69 0 5 0 57 417.505 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(Z)-[(1R,3Z,4S)-3-(1,3-benzodioxol-5-ylmethylene)-1,7,7-trimethyl-norbornan-2-ylidene]amino] [(Z)-[(1R,3Z,4S)-3-(1,3-benzodio…

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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) 6.65 12.96 -11.18 0 5 0 57 397.515 5 ↓

Parameters Provided:

ring.id = 11149
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 = 11149 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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