UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(benzo[1,3]dioxol-5-ylmethyl)-5-thioxo-2,4-diazabicyclo[4.3.0]non-10-en-3-one 2-(benzo[1,3]dioxol-5-ylmethyl)-…

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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) 1.87 -2.76 -19.01 1 5 0 56 302.355 2 ↓

Analogs

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Popular Name: 2-(3,4-dimethoxyphenyl)-5-thioxo-2,4-diazabicyclo[4.3.0]non-10-en-3-one 2-(3,4-dimethoxyphenyl)-5-thioxo…

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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) 1.52 -1.28 -15.73 1 5 0 56 304.371 3 ↓

Analogs

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Popular Name: 2-(2,5-dioxabicyclo[4.4.0]deca-6,8,10-trien-8-yl)-5-thioxo-2,4-diazabicyclo[4.3.0]non-10-en-3-one 2-(2,5-dioxabicyclo[4.4.0]deca-6…

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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) 1.38 6.97 -15.17 1 5 0 56 302.355 1 ↓

Analogs

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Popular Name: 4-[2-(3-oxo-5-thioxo-2,4-diazabicyclo[4.3.0]non-10-en-2-yl)ethyl]benzenesulfonamide 4-[2-(3-oxo-5-thioxo-2,4-diazabi…

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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) 0.89 -8.04 -26.42 3 6 0 97 351.453 4 ↓

Analogs

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Popular Name: 2-[2-(4-methoxyphenyl)ethyl]-5-thioxo-2,4-diazabicyclo[4.3.0]non-10-en-3-one 2-[2-(4-methoxyphenyl)ethyl]-5-t…

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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) 2.25 -1.77 -19.65 1 4 0 47 302.399 4 ↓

Analogs

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Popular Name: 2-[2-(2-methoxyphenyl)ethyl]-5-thioxo-2,4-diazabicyclo[4.3.0]non-10-en-3-one 2-[2-(2-methoxyphenyl)ethyl]-5-t…

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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) 2.20 -1.7 -19.19 1 4 0 47 302.399 4 ↓

Analogs

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Popular Name: 2-[(4-iodophenyl)methyl]-5-thioxo-2,4-diazabicyclo[4.3.0]non-10-en-3-one 2-[(4-iodophenyl)methyl]-5-thiox…

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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) 3.07 -2.75 -18.71 1 3 0 37 384.242 2 ↓

Analogs

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Popular Name: 2-[2-(1H-indol-3-yl)ethyl]-5-thioxo-2,4-diazabicyclo[4.3.0]non-10-en-3-one 2-[2-(1H-indol-3-yl)ethyl]-5-thi…

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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) 2.34 -2.83 -22.23 2 4 0 53 311.41 3 ↓

Parameters Provided:

ring.id = 9786
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 = 9786 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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