UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4S)-4-[[(3S,4S)-5-cyclohexyl-3-hydroxy-4-(methoxycarbonylamino)pentanoyl]amino]-5-oxo-5-(3-phenylpr (4S)-4-[[(3S,4S)-5-cyclohexyl-3-…

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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) 4.41 8.41 -53.66 4 10 -1 157 518.631 16 ↓

Analogs

36774580
36774580
36774581
36774581
36774582
36774582
36774583
36774583
36774584
36774584

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Popular Name: (4S)-4-[[(3S,4S)-4-acetamido-5-cyclohexyl-3-hydroxy-pentanoyl]amino]-5-oxo-5-(3-phenylpropylamino)pe (4S)-4-[[(3S,4S)-4-acetamido-5-c…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.12 8.77 -54.49 4 9 -1 148 502.632 15 ↓

Parameters Provided:

ring.id = 13834
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 = 13834 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=13834&filter.purchasability=annotated

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