UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

5686688
5686688
1061136
1061136

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Popular Name: 1-(4-ethoxy-3-nitro-phenyl)-2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone 1-(4-ethoxy-3-nitro-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) 2.51 10.64 -19.69 0 8 0 103 350.4 8 ↓

Analogs

7105103
7105103
7105108
7105108
7105127
7105127
7105133
7105133

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Popular Name: 3-[5-[(1R)-2-(2,5-dimethylphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-4-isobutyl-1,2,4-triazol-3-yl]propan 3-[5-[(1R)-2-(2,5-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) 3.12 9.48 -13.28 2 6 0 91 388.537 9 ↓

Analogs

7105103
7105103
7105108
7105108
7105127
7105127
7105133
7105133

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Popular Name: 3-[5-[(1S)-2-(2,5-dimethylphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-4-isobutyl-1,2,4-triazol-3-yl]propan 3-[5-[(1S)-2-(2,5-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) 3.12 9.46 -13.54 2 6 0 91 388.537 9 ↓

Analogs

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Popular Name: 3-[4-isobutyl-5-[2-(3-methoxyphenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide 3-[4-isobutyl-5-[2-(3-methoxyphe…

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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) 1.97 6.76 -16.49 2 7 0 100 376.482 10 ↓

Analogs

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Popular Name: N-[4-[2-[(4-allyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-methylsulfanyl-phenyl]acetamide N-[4-[2-[(4-allyl-1,2,4-triazol-…

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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) 1.75 9.99 -15.73 1 6 0 77 362.48 8 ↓

Parameters Provided:

ring.id = 1698
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 = 1698 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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