UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-allyl-2-[[5-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetamide N-allyl-2-[[5-[2-(4-bromo-3,5-di…

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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) 2.04 8.41 -15.6 1 7 0 78 427.372 9 ↓

Analogs

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Popular Name: 2-[[5-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-N-isobutyl-aceta 2-[[5-[2-(4-bromo-3,5-dimethyl-p…

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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) 2.52 9.36 -15.49 1 7 0 78 443.415 9 ↓

Analogs

2793098
2793098

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Popular Name: N-allyl-2-[[5-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetamide N-allyl-2-[[5-[2-(3,5-dimethyl-4…

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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) 1.19 8.57 -17.68 1 10 0 123 393.473 10 ↓

Analogs

2793098
2793098

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-N-isobutyl-aceta 2-[[5-[2-(3,5-dimethyl-4-nitro-p…

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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) 1.67 9.53 -17.53 1 10 0 123 409.516 10 ↓

Analogs

2793156
2793156
20294283
20294283
2792739
2792739
2778907
2778907
2793092
2793092

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Popular Name: N-allyl-2-[[5-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetamid N-allyl-2-[[5-[2-(3,5-dimethyl-4…

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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) 0.82 7.78 -18.5 1 10 0 123 379.446 9 ↓

Analogs

2793098
2793098

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-isobutyl-acet 2-[[5-[2-(3,5-dimethyl-4-nitro-p…

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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) 1.30 8.78 -15.01 1 10 0 123 395.489 9 ↓

Parameters Provided:

ring.id = 237129
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 = 237129 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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