UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2Z)-2-tetrahydrothiophen-3-ylideneethanamine (2Z)-2-tetrahydrothiophen-3-ylid…

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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) 0.23 2.5 -45.83 3 1 1 28 130.236 1 ↓
Hi High (pH 8-9.5) 0.23 2.09 -2.81 2 1 0 26 129.228 1 ↓

Analogs

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Popular Name: (3Z)-3-tetrahydrothiophen-3-ylidenepropan-1-amine (3Z)-3-tetrahydrothiophen-3-ylid…

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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) 0.50 3.27 -45.75 3 1 1 28 144.263 2 ↓

Analogs

20219
20219

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Popular Name: 4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylene-tetrahydrothiophen-2-yl]pyrimidin-2-on 4-amino-1-[(2S,4S,5R)-4-hydroxy-…

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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) -1.12 -3.15 -18.25 4 6 0 101 255.299 2 ↓

Parameters Provided:

ring.id = 264583
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 = 264583 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=264583&filter.purchasability=annotated

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