UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N5-[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]-2-methyl-1,3-benzothiazole-5,6-diamine N5-[(1R)-1-(2,4-dimethylthiazol-…

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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) 2.39 4.62 -10.15 3 4 0 64 318.471 3 ↓

Analogs

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Popular Name: N5-[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]-2-methyl-1,3-benzothiazole-5,6-diamine N5-[(1S)-1-(2,4-dimethylthiazol-…

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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) 2.39 4.64 -10.21 3 4 0 64 318.471 3 ↓

Analogs

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Popular Name: N5-[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]-1,3-benzothiazole-4,5-diamine N5-[(1R)-1-(2,4-dimethylthiazol-…

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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) 2.68 3.96 -9.4 3 4 0 64 304.444 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N5-[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]-1,3-benzothiazole-4,5-diamine N5-[(1S)-1-(2,4-dimethylthiazol-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.68 3.98 -9.43 3 4 0 64 304.444 3 ↓

Parameters Provided:

ring.id = 580678
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 = 580678 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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