UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[methyl(methylsulfonyl)amino]-N-(4-tetralin-6-ylthiazol-2-yl)acetamide 2-[methyl(methylsulfonyl)amino]-…

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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) 2.80 6.3 -23.13 1 6 0 79 379.507 5 ↓
Hi High (pH 8-9.5) 2.62 4.76 -57.31 0 6 -1 86 378.499 5 ↓

Analogs

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Popular Name: 2-ethylsulfonyl-N-(4-tetralin-6-ylthiazol-2-yl)acetamide 2-ethylsulfonyl-N-(4-tetralin-6-…

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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) 2.80 6.72 -25.34 1 5 0 76 364.492 5 ↓

Analogs

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Popular Name: (2R)-N-methyl-2-(4-tetralin-6-ylthiazol-2-yl)propan-1-amine (2R)-N-methyl-2-(4-tetralin-6-yl…

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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) 3.75 9.13 -43.62 2 2 1 29 287.452 4 ↓

Parameters Provided:

ring.id = 17739
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 = 17739 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=17739&filter.purchasability=annotated

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