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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (E)-N-(2-benzylsulfanylethyl)-3-(2-chlorophenyl)prop-2-enamide (E)-N-(2-benzylsulfanylethyl)-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) 4.34 10.36 -15.2 1 2 0 29 331.868 7 ↓

Analogs

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Popular Name: (E)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(4-methanesulfonamidophenyl)prop-2-enamide (E)-N-[2-[(2-cyanophenyl)methyls…

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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) 2.83 6.86 -21.15 2 6 0 99 415.54 9 ↓
Hi High (pH 8-9.5) 2.83 6.96 -45.97 1 6 -1 101 414.532 9 ↓

Analogs

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Popular Name: (E)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(4-nitrophenyl)prop-2-enamide (E)-N-[2-[(2-fluorophenyl)methyl…

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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) 3.97 10.65 -16.13 1 5 0 75 360.41 8 ↓

Analogs

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Popular Name: (E)-N-[2-[(4-chlorobenzyl)thio]ethyl]-3-(3-nitrophenyl)acrylamide (E)-N-[2-[(4-chlorobenzyl)thio]e…

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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) 4.50 11.18 -17.96 1 5 0 75 376.865 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-[2-[(2-chlorobenzyl)thio]ethyl]-3-(4-fluorophenyl)acrylamide (E)-N-[2-[(2-chlorobenzyl)thio]e…

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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) 4.68 -0.01 -11.6 1 2 0 29 349.858 7 ↓

Analogs

26064481
26064481

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Popular Name: (E)-N-[2-(benzylthio)ethyl]-3-phenyl-acrylamide (E)-N-[2-(benzylthio)ethyl]-3-ph…

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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) 3.89 9.95 -10.84 1 2 0 29 297.423 7 ↓

Analogs

5245442
5245442

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Popular Name: (E)-N-[2-[(4-chlorobenzyl)thio]ethyl]-3-phenyl-acrylamide (E)-N-[2-[(4-chlorobenzyl)thio]e…

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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) 4.57 10.47 -11.13 1 2 0 29 331.868 7 ↓

Analogs

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Popular Name: (E)-N-[2-[(3,4-dichlorobenzyl)thio]ethyl]-3-(4-nitrophenyl)acrylamide (E)-N-[2-[(3,4-dichlorobenzyl)th…

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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) 5.13 -0.35 -16.51 1 5 0 74 411.31 8 ↓

Analogs

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Popular Name: (E)-N-[2-[(3,4-dichlorobenzyl)thio]ethyl]-3-(3-nitrophenyl)acrylamide (E)-N-[2-[(3,4-dichlorobenzyl)th…

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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) 5.11 -0.35 -19.15 1 5 0 74 411.31 8 ↓

Parameters Provided:

ring.id = 69259
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 = 69259 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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