UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 2.48 5.13 -9.52 1 5 0 68 310.419 5 ↓

Analogs

41195230
41195230
41195232
41195232
41194976
41194976
41194979
41194979
41061479
41061479

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Popular Name: 1-(4-tert-butylthiazol-2-yl)-N-propyl-cyclobutanamine 1-(4-tert-butylthiazol-2-yl)-N-p…

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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) 3.91 7.65 -32.26 2 2 1 29 253.435 5 ↓
Hi High (pH 8-9.5) 3.91 6.44 -3.48 1 2 0 25 252.427 5 ↓

Analogs

41197268
41197268
41197270
41197270
41197510
41197510
41197512
41197512
41061710
41061710

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Popular Name: 1-(4-tert-butylthiazol-2-yl)-N-isopropyl-cyclobutanamine 1-(4-tert-butylthiazol-2-yl)-N-i…

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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) 3.70 6.59 -34.15 2 2 1 29 253.435 4 ↓
Hi High (pH 8-9.5) 3.70 5.83 -2.32 1 2 0 25 252.427 4 ↓

Parameters Provided:

ring.id = 410883
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 = 410883 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=410883&filter.purchasability=annotated

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