UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[[2-methyl-3-(thiophene-2-carbonylamino)benzoyl]amino]benzoic 2-[[2-methyl-3-(thiophene-2-carb…

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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) 4.01 7.95 -53.2 2 6 -1 98 379.417 5 ↓

Analogs

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Popular Name: N-[2-chloro-5-[(2-isopropylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide N-[2-chloro-5-[(2-isopropylpheny…

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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) 5.22 10.23 -15.73 2 4 0 58 398.915 5 ↓

Analogs

37125441
37125441
37125442
37125442

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Popular Name: N-[2-chloro-5-[(4-ethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide N-[2-chloro-5-[(4-ethylphenyl)ca…

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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) 5.14 9.61 -16.62 2 4 0 58 384.888 5 ↓

Analogs

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Popular Name: N-[3-[(2-isopropylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide N-[3-[(2-isopropylphenyl)carbamo…

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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) 4.59 9.61 -19.29 2 4 0 58 364.47 5 ↓

Analogs

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Popular Name: N-[3-[(3-ethynylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide N-[3-[(3-ethynylphenyl)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) 3.33 8.68 -28.17 2 4 0 58 346.411 4 ↓

Analogs

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Popular Name: N-[3-[(2-ethoxy-4-methyl-phenyl)carbamoyl]phenyl]thiophene-2-carboxamide N-[3-[(2-ethoxy-4-methyl-phenyl)…

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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 8.52 -19.39 2 5 0 67 380.469 6 ↓

Analogs

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Popular Name: N-[3-[(3-cyanophenyl)carbamoyl]phenyl]-3-ethyl-thiophene-2-carboxamide N-[3-[(3-cyanophenyl)carbamoyl]p…

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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) 4.17 9.33 -24.05 2 5 0 82 375.453 5 ↓

Parameters Provided:

ring.id = 82996
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 = 82996 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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