UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(1-allyl-2-hydroxy-indol-3-yl)imino-2-(2-phenylacetyl)amino-acetamide N-(1-allyl-2-hydroxy-indol-3-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) 2.24 7.33 -15.31 2 7 0 93 376.416 7 ↓
Hi High (pH 8-9.5) 3.16 5.81 -54.48 1 7 -1 99 375.408 7 ↓
Hi High (pH 8-9.5) 3.15 4.88 -50.13 1 7 -1 99 375.408 7 ↓

Analogs

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Popular Name: N-(2-hydroxy-1-isopropyl-indol-3-yl)imino-2-[2-(4-methoxyphenyl)acetyl]amino-acetamide N-(2-hydroxy-1-isopropyl-indol-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) 2.40 6.57 -16.66 2 8 0 102 408.458 7 ↓

Analogs

3472081
3472081

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Popular Name: N-(2-hydroxy-1-isopropyl-indol-3-yl)imino-2-(2-phenylacetyl)amino-acetamide N-(2-hydroxy-1-isopropyl-indol-3…

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) 2.34 7.29 -15.04 2 7 0 93 378.432 6 ↓

Parameters Provided:

ring.id = 1794
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 = 1794 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=1794&filter.purchasability=annotated

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