UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2790327
2790327
2790328
2790328

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Popular Name: (4-methoxyphenyl)methyl-tert-butyl-BLAH (4-methoxyphenyl)methyl-tert-but…

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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) 6.03 1.16 -9.31 0 5 0 52 406.555 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-methoxyphenyl)methyl-tert-butyl-BLAH (4-methoxyphenyl)methyl-tert-but…

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) 6.03 1.16 -9.36 0 5 0 52 406.555 4 ↓

Analogs

2790327
2790327
2790328
2790328

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Popular Name: (3,4-diethoxybenzyl)BLAH (3,4-diethoxybenzyl)BLAH

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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) 4.57 0.23 -12.33 0 6 0 61 408.527 6 ↓

Analogs

5346338
5346338
5346339
5346339
5561556
5561556
2788208
2788208
2380707
2380707

Draw Identity 99% 90% 80% 70%

Popular Name: (3,4-diethoxybenzyl)-methyl-BLAH (3,4-diethoxybenzyl)-methyl-BLAH

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) 5.05 0.59 -12 0 6 0 61 422.554 6 ↓

Analogs

5346338
5346338
5346339
5346339
5561556
5561556
2788208
2788208
2380707
2380707

Draw Identity 99% 90% 80% 70%

Popular Name: (3,4-diethoxybenzyl)-methyl-BLAH (3,4-diethoxybenzyl)-methyl-BLAH

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) 5.05 0.59 -12.03 0 6 0 61 422.554 6 ↓

Parameters Provided:

ring.id = 1441
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 = 1441 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=1441&filter.purchasability=annotated

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