UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4R)-N-[(4-methylthiazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(4-methylthiazol-2-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) 1.47 6.73 -39.69 2 2 1 29 265.427 3 ↓
Hi High (pH 8-9.5) 1.47 5.54 -5.47 1 2 0 25 264.419 3 ↓

Analogs

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Popular Name: (4S)-N-[(4-methylthiazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(4-methylthiazol-2-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) 1.47 6.73 -40.19 2 2 1 29 265.427 3 ↓
Hi High (pH 8-9.5) 1.47 5.66 -5.12 1 2 0 25 264.419 3 ↓

Analogs

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Popular Name: (4R)-N-(thiazol-2-ylmethyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-(thiazol-2-ylmethyl)-4,5,…

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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) 1.25 6.13 -39.48 2 2 1 29 251.4 3 ↓
Hi High (pH 8-9.5) 1.25 5.05 -6.12 1 2 0 25 250.392 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-(thiazol-2-ylmethyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-(thiazol-2-ylmethyl)-4,5,…

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) 1.25 6.12 -39.99 2 2 1 29 251.4 3 ↓
Hi High (pH 8-9.5) 1.25 4.93 -6.02 1 2 0 25 250.392 3 ↓

Parameters Provided:

ring.id = 210756
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 = 210756 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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