UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(3-carbamoyl-5-isopropyl-2-thienyl)-7-methoxy-2-oxo-chromene-4-carboxamide N-(3-carbamoyl-5-isopropyl-2-thi…

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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) 2.67 5.61 -12.32 3 7 0 112 386.429 5 ↓

Analogs

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Popular Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-7-methoxy-2-oxo-chromene-4-carboxamide N-(3-cyano-4,5-dimethyl-2-thieny…

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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) 2.93 8.08 -11.47 1 6 0 92 354.387 3 ↓

Analogs

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Popular Name: N-(3-carbamoyl-4,5-dimethyl-2-thienyl)-7-methoxy-2-oxo-chromene-4-carboxamide N-(3-carbamoyl-4,5-dimethyl-2-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) 1.99 4.35 -13.92 3 7 0 112 372.402 4 ↓

Analogs

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Popular Name: N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-7-methoxy-2-oxo-chromene-4-carboxamide N-(3-cyano-4-ethyl-5-methyl-2-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) 3.40 8.82 -11.58 1 6 0 92 368.414 4 ↓

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) 3.01 8.44 -12.32 1 7 0 95 387.413 5 ↓

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) 3.20 8.77 -10.29 1 7 0 95 387.413 6 ↓

Analogs

41643589
41643589

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Popular Name: N-(3-carbamoyl-5-isopropyl-2-thienyl)-7-isopropoxy-2-oxo-chromene-4-carboxamide N-(3-carbamoyl-5-isopropyl-2-thi…

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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) 3.41 7.17 -11.84 3 7 0 112 414.483 6 ↓

Analogs

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Popular Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-7-isopropoxy-2-oxo-chromene-4-carboxamide N-(3-cyano-4,5-dimethyl-2-thieny…

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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) 3.67 9.66 -11.01 1 6 0 92 382.441 4 ↓

Analogs

41643592
41643592

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Popular Name: N-(3-carbamoyl-4,5-dimethyl-2-thienyl)-7-isopropoxy-2-oxo-chromene-4-carboxamide N-(3-carbamoyl-4,5-dimethyl-2-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) 2.73 5.93 -13.5 3 7 0 112 400.456 5 ↓

Analogs

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Popular Name: N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-7-isopropoxy-2-oxo-chromene-4-carboxamide N-(3-cyano-4-ethyl-5-methyl-2-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) 4.14 10.38 -11.06 1 6 0 92 396.468 5 ↓

Analogs

41643646
41643646

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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) 3.75 10.03 -11.16 1 7 0 95 415.467 6 ↓

Analogs

41643648
41643648

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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) 3.94 10.34 -9.81 1 7 0 95 415.467 7 ↓

Analogs

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Popular Name: N-(3-carbamoyl-5-ethyl-2-thienyl)-7-ethoxy-2-oxo-chromene-4-carboxamide N-(3-carbamoyl-5-ethyl-2-thienyl…

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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) 2.57 5.89 -12.16 3 7 0 112 386.429 6 ↓

Analogs

41551563
41551563

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Popular Name: N-(3-carbamoyl-5-isopropyl-2-thienyl)-7-ethoxy-2-oxo-chromene-4-carboxamide N-(3-carbamoyl-5-isopropyl-2-thi…

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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 6.54 -12.01 3 7 0 112 400.456 6 ↓

Analogs

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Popular Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-7-ethoxy-2-oxo-chromene-4-carboxamide N-(3-cyano-4,5-dimethyl-2-thieny…

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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) 3.31 9.01 -11.23 1 6 0 92 368.414 4 ↓

Analogs

41551569
41551569

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Popular Name: N-(3-carbamoyl-4,5-dimethyl-2-thienyl)-7-ethoxy-2-oxo-chromene-4-carboxamide N-(3-carbamoyl-4,5-dimethyl-2-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) 2.37 5.27 -13.53 3 7 0 112 386.429 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-7-ethoxy-2-oxo-chromene-4-carboxamide N-(3-cyano-4-ethyl-5-methyl-2-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) 3.77 9.75 -11.37 1 6 0 92 382.441 5 ↓

Analogs

41551691
41551691

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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) 3.38 9.36 -12 1 7 0 95 401.44 6 ↓

Analogs

41551694
41551694

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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) 3.58 9.69 -10.05 1 7 0 95 401.44 7 ↓

Parameters Provided:

ring.id = 547323
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 = 547323 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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