UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

33817687
33817687

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Popular Name: Australifungin Australifungin

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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) 3.37 5.89 -18.99 3 6 0 112 408.535 9 ↓
Mid Mid (pH 6-8) 3.37 7.49 -27.41 3 6 0 112 408.535 9 ↓

Analogs

33817686
33817686

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Popular Name: (4S,4aR,5S,7R,8R,8aS)-2,5,8-trihydroxy-4-(3-hydroxypropanoyl)-4,7-dimethyl-3-[(1R)-1-methylheptyl]-4 (4S,4aR,5S,7R,8R,8aS)-2,5,8-trih…

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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) 2.92 3.02 -12.9 4 6 0 115 410.551 9 ↓
Mid Mid (pH 6-8) 2.92 4.61 -19.41 4 6 0 115 410.551 9 ↓

Analogs

33802415
33802415
33802416
33802416
35454903
35454903

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Popular Name: (4R,4aS,7S,8aS)-4,7-dihydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydronaphthalen-1 (4R,4aS,7S,8aS)-4,7-dihydroxy-4-…

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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) 1.10 -0.44 -8.4 3 4 0 78 268.353 1 ↓

Parameters Provided:

ring.id = 13747
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 = 13747 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=13747&filter.purchasability=annotated

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