UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-chloro-4-[(2-ethylbenzimidazol-1-yl)methyl]thiadiazole 5-chloro-4-[(2-ethylbenzimidazol…

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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 6.92 -8.68 0 4 0 44 278.768 3 ↓
Mid Mid (pH 6-8) 3.38 7.36 -25.09 1 4 1 45 279.776 3 ↓

Analogs

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Popular Name: 4-[(2-ethylbenzimidazol-1-yl)methyl]thiadiazol-5-amine 4-[(2-ethylbenzimidazol-1-yl)met…

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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) 2.19 4.58 -14.01 2 5 0 70 259.338 3 ↓
Mid Mid (pH 6-8) 2.19 4.97 -29.02 3 5 1 71 260.346 3 ↓

Analogs

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Popular Name: 4-[(2-ethylbenzimidazol-1-yl)methyl]-N-methyl-thiadiazol-5-amine 4-[(2-ethylbenzimidazol-1-yl)met…

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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) 2.56 5.63 -13.6 1 5 0 56 273.365 4 ↓
Mid Mid (pH 6-8) 2.56 6 -28.32 2 5 1 57 274.373 4 ↓

Analogs

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Popular Name: N-ethyl-4-[(2-ethylbenzimidazol-1-yl)methyl]thiadiazol-5-amine N-ethyl-4-[(2-ethylbenzimidazol-…

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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) 2.94 6.47 -12.63 1 5 0 56 287.392 5 ↓
Mid Mid (pH 6-8) 2.94 6.85 -27.47 2 5 1 57 288.4 5 ↓

Analogs

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Popular Name: 4-[(2-ethylbenzimidazol-1-yl)methyl]-N-propyl-thiadiazol-5-amine 4-[(2-ethylbenzimidazol-1-yl)met…

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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) 3.44 7.14 -12.49 1 5 0 56 301.419 6 ↓
Mid Mid (pH 6-8) 3.44 7.74 -28.88 2 5 1 57 302.427 6 ↓

Analogs

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Popular Name: [4-[(2-ethylbenzimidazol-1-yl)methyl]thiadiazol-5-yl]hydrazine [4-[(2-ethylbenzimidazol-1-yl)me…

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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) 1.95 4.32 -14.48 3 6 0 82 274.353 4 ↓
Mid Mid (pH 6-8) 1.95 4.71 -29.28 4 6 1 83 275.361 4 ↓

Parameters Provided:

ring.id = 190476
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 = 190476 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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