UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

25777247
25777247

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Popular Name: 4-ethyl-N-[3-(4-fluorophenoxy)propyl]thiadiazole-5-carboxamide 4-ethyl-N-[3-(4-fluorophenoxy)pr…

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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) 2.87 4.94 -8.92 1 5 0 64 309.366 7 ↓

Analogs

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Popular Name: N-[3-(4-methoxyphenoxy)propyl]thiadiazole-5-carboxamide N-[3-(4-methoxyphenoxy)propyl]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) 1.97 2.85 -10.41 1 6 0 73 293.348 7 ↓

Analogs

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Popular Name: N-[3-(4-chloro-2-methyl-phenoxy)propyl]thiadiazole-5-carboxamide N-[3-(4-chloro-2-methyl-phenoxy)…

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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) 2.97 4.83 -9.23 1 5 0 64 311.794 6 ↓

Analogs

55709701
55709701

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Popular Name: N-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]thiadiazole-5-carboxamide N-[(2R)-2-hydroxy-3-(3-methylphe…

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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) 1.42 1.14 -10.38 2 6 0 84 293.348 6 ↓

Analogs

55709701
55709701

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Popular Name: N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]thiadiazole-5-carboxamide N-[(2S)-2-hydroxy-3-(3-methylphe…

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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) 1.42 1.21 -10.32 2 6 0 84 293.348 6 ↓

Analogs

55709701
55709701

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Popular Name: N-[3-(2,6-dimethylphenoxy)propyl]thiadiazole-5-carboxamide N-[3-(2,6-dimethylphenoxy)propyl…

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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) 2.72 5 -9.04 1 5 0 64 291.376 6 ↓

Parameters Provided:

ring.id = 158941
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 = 158941 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=158941&filter.purchasability=annotated

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