UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

19863846
19863846

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Popular Name: (2S)-2-[(4-fluorophenyl)sulfanylmethyl]oxirane (2S)-2-[(4-fluorophenyl)sulfanyl…

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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) 2.37 4.85 -6.15 0 1 0 13 184.235 3 ↓

Analogs

19863842
19863842

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Popular Name: (2R)-2-[(4-fluorophenyl)sulfanylmethyl]oxirane (2R)-2-[(4-fluorophenyl)sulfanyl…

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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) 2.37 4.86 -6.21 0 1 0 13 184.235 3 ↓

Analogs

19863859
19863859

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Popular Name: (2S)-2-[(4-methoxyphenyl)sulfanylmethyl]oxirane (2S)-2-[(4-methoxyphenyl)sulfany…

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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) 2.26 4.1 -7.32 0 2 0 22 196.271 4 ↓

Analogs

19863857
19863857

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Popular Name: (2R)-2-[(4-methoxyphenyl)sulfanylmethyl]oxirane (2R)-2-[(4-methoxyphenyl)sulfany…

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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) 2.26 4.1 -7.37 0 2 0 22 196.271 4 ↓

Analogs

19863896
19863896

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Popular Name: (2S)-2-[(3,4-dimethylphenyl)sulfanylmethyl]oxirane (2S)-2-[(3,4-dimethylphenyl)sulf…

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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) 3.03 6.12 -6.54 0 1 0 13 194.299 3 ↓

Analogs

19863895
19863895

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Popular Name: (2R)-2-[(3,4-dimethylphenyl)sulfanylmethyl]oxirane (2R)-2-[(3,4-dimethylphenyl)sulf…

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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) 3.03 6.13 -6.7 0 1 0 13 194.299 3 ↓

Analogs

19863901
19863901

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Popular Name: N-[4-[[(2S)-oxiran-2-yl]methylsulfanyl]phenyl]acetamide N-[4-[[(2S)-oxiran-2-yl]methylsu…

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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) 1.42 3.65 -14.17 1 3 0 42 223.297 4 ↓

Analogs

19863898
19863898

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Popular Name: N-[4-[[(2R)-oxiran-2-yl]methylsulfanyl]phenyl]acetamide N-[4-[[(2R)-oxiran-2-yl]methylsu…

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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) 1.42 3.66 -15.26 1 3 0 42 223.297 4 ↓

Analogs

19863928
19863928

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Popular Name: (2S)-2-[(2,5-dimethylphenyl)sulfanylmethyl]oxirane (2S)-2-[(2,5-dimethylphenyl)sulf…

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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) 3.03 6 -6.3 0 1 0 13 194.299 3 ↓

Analogs

19863925
19863925

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Popular Name: (2R)-2-[(2,5-dimethylphenyl)sulfanylmethyl]oxirane (2R)-2-[(2,5-dimethylphenyl)sulf…

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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) 3.03 6.01 -6.51 0 1 0 13 194.299 3 ↓

Analogs

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Popular Name: (2S)-2-[(3,4-difluorophenyl)sulfanylmethyl]oxirane (2S)-2-[(3,4-difluorophenyl)sulf…

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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) 2.46 4.93 -6.43 0 1 0 13 202.225 3 ↓

Analogs

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Popular Name: (2R)-2-[(3,4-difluorophenyl)sulfanylmethyl]oxirane (2R)-2-[(3,4-difluorophenyl)sulf…

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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) 2.46 4.93 -6.46 0 1 0 13 202.225 3 ↓

Analogs

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Popular Name: (2S)-2-[(4-bromophenyl)sulfanylmethyl]oxirane (2S)-2-[(4-bromophenyl)sulfanylm…

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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) 3.01 5.43 -5.2 0 1 0 13 245.141 3 ↓

Analogs

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Popular Name: (2R)-2-[(4-bromophenyl)sulfanylmethyl]oxirane (2R)-2-[(4-bromophenyl)sulfanylm…

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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) 3.01 5.43 -5.3 0 1 0 13 245.141 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(2,4-difluorophenyl)sulfanylmethyl]oxirane (2S)-2-[(2,4-difluorophenyl)sulf…

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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) 2.46 4.91 -7.1 0 1 0 13 202.225 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(2,4-difluorophenyl)sulfanylmethyl]oxirane (2R)-2-[(2,4-difluorophenyl)sulf…

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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) 2.46 4.92 -7.28 0 1 0 13 202.225 3 ↓

Parameters Provided:

ring.id = 52547
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 = 52547 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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