UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-amino-6-tert-butyl-N-(2-chloro-5-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide 2-amino-6-tert-butyl-N-(2-chloro…

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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) 4.87 10.06 -7.94 2 6 0 99 407.923 4 ↓
Mid Mid (pH 6-8) 5.06 7.73 -46.61 1 6 -1 105 406.915 4 ↓
Mid Mid (pH 6-8) 5.57 9.26 -10.95 3 6 0 101 407.923 4 ↓

Analogs

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Popular Name: 2-amino-6-ethyl-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide 2-amino-6-ethyl-N-phenyl-4,5,6,7…

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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) 3.67 7.94 -6.25 2 3 0 53 300.427 3 ↓
Mid Mid (pH 6-8) 4.18 7.14 -8.83 3 3 0 55 300.427 3 ↓
Mid Mid (pH 6-8) 3.67 7.3 -11.53 2 3 0 53 300.427 3 ↓

Parameters Provided:

ring.id = 390031
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 = 390031 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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