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Analogs

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Popular Name: 4-[(5-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]thiadiazol-5-amine 4-[(5-methyl-1H-benzimidazol-2-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) 2.81 3.15 -11.43 3 5 0 80 277.378 3 ↓
Lo Low (pH 4.5-6) 2.81 3.53 -33.73 4 5 1 82 278.386 3 ↓

Analogs

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Popular Name: N-methyl-4-[(5-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]thiadiazol-5-amine N-methyl-4-[(5-methyl-1H-benzimi…

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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) 3.18 4.18 -11.26 2 5 0 66 291.405 4 ↓
Lo Low (pH 4.5-6) 3.18 4.56 -33.04 3 5 1 68 292.413 4 ↓

Analogs

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Popular Name: N-ethyl-4-[(5-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]thiadiazol-5-amine N-ethyl-4-[(5-methyl-1H-benzimid…

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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) 3.56 5.01 -10.44 2 5 0 66 305.432 5 ↓
Lo Low (pH 4.5-6) 3.56 5.4 -30.83 3 5 1 68 306.44 5 ↓

Analogs

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Popular Name: 4-[(5-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-N-propyl-thiadiazol-5-amine 4-[(5-methyl-1H-benzimidazol-2-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) 4.06 5.77 -10.12 2 5 0 66 319.459 6 ↓
Lo Low (pH 4.5-6) 4.06 6.15 -30.9 3 5 1 68 320.467 6 ↓

Analogs

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Popular Name: [4-[(5-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]thiadiazol-5-yl]hydrazine [4-[(5-methyl-1H-benzimidazol-2-…

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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 2.94 -11.6 4 6 0 93 292.393 4 ↓
Lo Low (pH 4.5-6) 2.56 3.32 -34.24 5 6 1 94 293.401 4 ↓

Analogs

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Popular Name: 5-chloro-4-[[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]thiadiazole 5-chloro-4-[[5-chloro-1-(2-metho…

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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) 4.28 7.23 -7.51 0 5 0 53 375.306 6 ↓
Lo Low (pH 4.5-6) 4.28 7.69 -29.15 1 5 1 54 376.314 6 ↓

Parameters Provided:

ring.id = 216454
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 = 216454 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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