UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(5-bromo-3-thienyl)methyl]-4-ethyl-N-methyl-thiadiazole-5-carboxamide N-[(5-bromo-3-thienyl)methyl]-4-…

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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) 2.92 5.88 -10.71 0 4 0 46 346.275 4 ↓

Analogs

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Popular Name: N-[(5-bromo-3-thienyl)methyl]-N-methyl-thiadiazole-5-carboxamide N-[(5-bromo-3-thienyl)methyl]-N-…

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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) 2.13 4.61 -8.24 0 4 0 46 318.221 3 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-4-methyl-N-(3-thienylmethyl)thiadiazole-5-carboxamide N-(2-methoxyethyl)-4-methyl-N-(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) 1.40 4.34 -8.61 0 5 0 55 297.405 6 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-4-propyl-N-(3-thienylmethyl)thiadiazole-5-carboxamide N-(2-methoxyethyl)-4-propyl-N-(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) 2.48 5.83 -8.23 0 5 0 55 325.459 8 ↓

Analogs

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Popular Name: 4-methyl-N-(3-thienylmethyl)thiadiazole-5-carboxamide 4-methyl-N-(3-thienylmethyl)thia…

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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) 1.17 2.7 -6.31 1 4 0 55 239.325 3 ↓

Analogs

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Popular Name: 4-propyl-N-(3-thienylmethyl)thiadiazole-5-carboxamide 4-propyl-N-(3-thienylmethyl)thia…

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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) 2.25 4.19 -5.92 1 4 0 55 267.379 5 ↓

Parameters Provided:

ring.id = 542642
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 = 542642 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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