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Analogs

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Popular Name: N-[2-chloro-5-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]carbamoyl]phenyl]thiophene-2-carboxamide N-[2-chloro-5-[[(1R)-1-(3,4-diet…

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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) 4.88 10.13 -19.12 2 6 0 77 472.994 9 ↓

Analogs

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Popular Name: N-[2-chloro-5-[[(1S)-1-(3,4-diethoxyphenyl)ethyl]carbamoyl]phenyl]thiophene-2-carboxamide N-[2-chloro-5-[[(1S)-1-(3,4-diet…

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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) 4.88 10.13 -19.28 2 6 0 77 472.994 9 ↓

Analogs

6694964
6694964
6696055
6696055

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Popular Name: N-[3-(benzyl-(2-methoxyethyl)carbamoyl)phenyl]thiophene-2-carboxamide N-[3-(benzyl-(2-methoxyethyl)car…

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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) 3.05 9.48 -22.78 1 5 0 59 394.496 8 ↓

Analogs

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Popular Name: methyl 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) 2.89 10.84 -20.73 1 6 0 76 422.506 9 ↓

Analogs

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Popular Name: N-[2-chloro-5-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide N-[2-chloro-5-[(3,4-dimethoxyphe…

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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) 3.57 7.44 -17.96 2 6 0 77 430.913 7 ↓

Parameters Provided:

ring.id = 39890
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 = 39890 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=39890&filter.purchasability=annotated

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