UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[(5E)-5-[(E)-(2-methoxyphenyl)methylenehydrazono]-4-(2-nitrophenyl)-1,3,4-thiadiazol-2-yl]ethanone 1-[(5E)-5-[(E)-(2-methoxyphenyl)…

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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) 3.98 10.32 -22.65 0 9 0 115 397.416 6 ↓

Analogs

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Popular Name: (NE)-N-[3-(4-methoxyphenyl)-5-(thiophene-2-carbonyl)-1,3,4-thiadiazol-2-ylidene]benzamide (NE)-N-[3-(4-methoxyphenyl)-5-(t…

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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) 4.96 8.6 -10.56 0 6 0 74 421.503 5 ↓
Lo Low (pH 4.5-6) 4.96 10.29 -29.23 1 6 1 75 422.511 5 ↓

Analogs

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Popular Name: (4-chlorophenyl)-[(5E)-5-[(E)-(4-fluorophenyl)methylenehydrazono]-4-phenyl-1,3,4-thiadiazol-2-yl]met (4-chlorophenyl)-[(5E)-5-[(E)-(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) 6.25 13.24 -10.49 0 5 0 60 436.899 5 ↓

Analogs

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Popular Name: benzenesulfonic-acid-[2-methoxy-4-[(E)-[[2-[(2E)-2-p-toluoylimino-3H-1,3,4-thiadiazol-5-yl]acetyl]hy benzenesulfonic-acid-[2-methoxy-…

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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) 3.73 8.75 -39.85 2 11 0 149 565.633 10 ↓

Analogs

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Popular Name: 2-[[(5Z)-5-benzylimino-4-methyl-1,3,4-thiadiazol-2-yl]thio]-N-(4-sulfamoylphenyl)acetamide 2-[[(5Z)-5-benzylimino-4-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) 3.12 -9.19 -19.06 3 8 0 119 449.583 7 ↓

Analogs

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Popular Name: 3-(2-methylsulfonylethyl)-5-(2-methylsulfonylethylsulfanyl)-N-(p-tolyl)-1,3,4-thiadiazol-2-imine 3-(2-methylsulfonylethyl)-5-(2-m…

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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) 3.17 3.79 -26.31 0 7 0 98 435.618 8 ↓
Mid Mid (pH 6-8) -1.05 4.08 -43.17 1 7 1 97 436.626 9 ↓

Parameters Provided:

ring.id = 74600
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 = 74600 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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