UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: ethyl ethyl

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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) 4.80 10.37 -22.98 1 8 0 102 496.585 11 ↓

Analogs

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Popular Name: acetamide, N-(3-chlorophenyl)-2-[[4-(phenylmethoxy)phenyl]amino]- acetamide, N-(3-chlorophenyl)-2-…

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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) 5.27 9.28 -12.36 2 4 0 50 366.848 7 ↓
Lo Low (pH 4.5-6) 5.27 9.87 -47.11 3 4 1 55 367.856 7 ↓

Analogs

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Popular Name: acetamide, N-ethyl-N-phenyl-2-[[4-(phenylmethoxy)phenyl]amino]- acetamide, N-ethyl-N-phenyl-2-[[…

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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) 4.87 11.27 -10.83 1 4 0 42 360.457 8 ↓

Analogs

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Popular Name: acetamide, N-(4-chlorophenyl)-2-[[4-(phenylmethoxy)phenyl]amino]- acetamide, N-(4-chlorophenyl)-2-…

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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) 5.29 9.28 -10.88 2 4 0 50 366.848 7 ↓
Lo Low (pH 4.5-6) 5.29 9.88 -47.53 3 4 1 55 367.856 7 ↓

Analogs

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Popular Name: acetamide, N-(3,4-dimethylphenyl)-2-[[4-(phenylmethoxy)phenyl]amino]- acetamide, N-(3,4-dimethylphenyl…

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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) 5.44 9.98 -11.01 2 4 0 50 360.457 7 ↓
Lo Low (pH 4.5-6) 5.44 10.58 -44.87 3 4 1 55 361.465 7 ↓

Analogs

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Popular Name: acetamide, N-(3,5-dimethylphenyl)-2-[[4-(phenylmethoxy)phenyl]amino]- acetamide, N-(3,5-dimethylphenyl…

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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) 5.44 10.09 -10.96 2 4 0 50 360.457 7 ↓
Lo Low (pH 4.5-6) 5.44 10.69 -45.04 3 4 1 55 361.465 7 ↓

Analogs

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Popular Name: acetamide, N-(3-methoxyphenyl)-2-[[4-(phenylmethoxy)phenyl]amino]- acetamide, N-(3-methoxyphenyl)-2…

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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) 4.65 8.04 -11.45 2 5 0 60 362.429 8 ↓
Lo Low (pH 4.5-6) 4.65 8.64 -46.38 3 5 1 64 363.437 8 ↓

Analogs

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Popular Name: acetamide, N-(2-ethyl-6-methylphenyl)-2-[[4-(phenylmethoxy)phenyl]amino]- acetamide, N-(2-ethyl-6-methylph…

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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) 4.95 11.25 -10.52 2 4 0 50 374.484 8 ↓
Lo Low (pH 4.5-6) 4.95 11.83 -45.55 3 4 1 55 375.492 8 ↓

Parameters Provided:

ring.id = 150227
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 = 150227 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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