UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(1-ethylpyrazol-4-yl)-1,3,4-thiadiazol-2-amine N-(1-ethylpyrazol-4-yl)-1,3,4-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) 1.40 3.42 -12.48 1 5 0 56 195.251 3 ↓

Analogs

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Popular Name: N-(1-methylpyrazol-4-yl)-1,3,4-thiadiazol-2-amine N-(1-methylpyrazol-4-yl)-1,3,4-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) 1.02 2.55 -12.66 1 5 0 56 181.224 2 ↓

Analogs

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Popular Name: N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-amine N-[1-(2-methoxyethyl)pyrazol-4-y…

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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) 1.01 2.46 -12.1 1 6 0 65 225.277 5 ↓

Analogs

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Popular Name: N-(1-isopropylpyrazol-4-yl)-1,3,4-thiadiazol-2-amine N-(1-isopropylpyrazol-4-yl)-1,3,…

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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) 1.76 3.93 -11.76 1 5 0 56 209.278 3 ↓

Analogs

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Popular Name: 5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3,4-thiadiazole-2-thiol 5-[[1-(2-methoxyethyl)pyrazol-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) 1.52 2.88 -44.57 1 6 -1 65 256.336 5 ↓

Analogs

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Popular Name: 2-[[5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[[1-(2-methoxyethyl)pyrazo…

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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) 0.97 4.23 -49.75 1 8 -1 105 314.372 8 ↓

Parameters Provided:

ring.id = 506604
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 = 506604 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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