UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

10498220
10498220

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Popular Name: 5-(4-chlorophenyl)-5-methyl-3-[(7-methyl-5-oxo-9-thia-2,6-diazabicyclo[4.3.0]nona-1,3,7-trien-3-yl)m 5-(4-chlorophenyl)-5-methyl-3-[(…

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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) 2.59 -1.63 -15.48 1 7 0 83 402.863 3 ↓

Analogs

10498219
10498219

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Popular Name: 5-(4-chlorophenyl)-5-methyl-3-[(7-methyl-5-oxo-9-thia-2,6-diazabicyclo[4.3.0]nona-1,3,7-trien-3-yl)m 5-(4-chlorophenyl)-5-methyl-3-[(…

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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) 2.59 -1.66 -15.19 1 7 0 83 402.863 3 ↓

Analogs

10499507
10499507
10499621
10499621
10499624
10499624
10537775
10537775
10537778
10537778

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Popular Name: 5-methyl-3-[(7-methyl-5-oxo-9-thia-2,6-diazabicyclo[4.3.0]nona-1,3,7-trien-3-yl)methyl]-5-phenyl-imi 5-methyl-3-[(7-methyl-5-oxo-9-th…

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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) 1.91 -1.48 -15.54 1 7 0 83 368.418 3 ↓

Analogs

10499621
10499621
10499624
10499624
10537775
10537775
10537778
10537778
11539407
11539407

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Popular Name: 5-methyl-3-[(7-methyl-5-oxo-9-thia-2,6-diazabicyclo[4.3.0]nona-1,3,7-trien-3-yl)methyl]-5-phenyl-imi 5-methyl-3-[(7-methyl-5-oxo-9-th…

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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) 1.91 -1.48 -15.02 1 7 0 83 368.418 3 ↓

Analogs

10499624
10499624
10537775
10537775
10537778
10537778
11539407
11539407
11539408
11539408

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Popular Name: 5-methyl-3-[(9-methyl-2-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5,8-trien-4-yl)methyl]-5-(p-tolyl)i 5-methyl-3-[(9-methyl-2-oxo-7-th…

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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) 2.36 -1.16 -15.63 1 7 0 83 382.445 3 ↓

Analogs

10537775
10537775
10537778
10537778
11539407
11539407
11539408
11539408
10499503
10499503

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Popular Name: 5-methyl-3-[(9-methyl-2-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5,8-trien-4-yl)methyl]-5-(p-tolyl)i 5-methyl-3-[(9-methyl-2-oxo-7-th…

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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) 2.36 -1.16 -14.95 1 7 0 83 382.445 3 ↓

Analogs

10499715
10499715

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Popular Name: 5-ethyl-3-[(9-methyl-2-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5,8-trien-4-yl)methyl]-5-phenyl-imid 5-ethyl-3-[(9-methyl-2-oxo-7-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) 2.42 -0.91 -15.21 1 7 0 83 382.445 4 ↓

Analogs

10499713
10499713

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Popular Name: 5-ethyl-3-[(9-methyl-2-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5,8-trien-4-yl)methyl]-5-phenyl-imid 5-ethyl-3-[(9-methyl-2-oxo-7-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) 2.42 -1.01 -15.57 1 7 0 83 382.445 4 ↓

Analogs

11538352
11538352

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Popular Name: 5-(2,5-difluorophenyl)-5-methyl-3-[(7-methyl-5-oxo-9-thia-2,6-diazabicyclo[4.3.0]nona-1,3,7-trien-3- 5-(2,5-difluorophenyl)-5-methyl-…

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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) 2.17 0.08 -15.67 1 7 0 84 404.398 3 ↓

Analogs

11538351
11538351

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Popular Name: 5-(2,5-difluorophenyl)-5-methyl-3-[(7-methyl-5-oxo-9-thia-2,6-diazabicyclo[4.3.0]nona-1,3,7-trien-3- 5-(2,5-difluorophenyl)-5-methyl-…

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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) 2.17 0.11 -15.67 1 7 0 84 404.398 3 ↓

Analogs

11538397
11538397

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Popular Name: 5-methyl-3-[(9-methyl-2-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5,8-trien-4-yl)methyl]-5-(4-propylp 5-methyl-3-[(9-methyl-2-oxo-7-th…

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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) 3.22 -0.88 -15.21 1 7 0 84 410.499 5 ↓

Analogs

11538396
11538396

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Popular Name: 5-methyl-3-[(9-methyl-2-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5,8-trien-4-yl)methyl]-5-(4-propylp 5-methyl-3-[(9-methyl-2-oxo-7-th…

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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) 3.22 -0.91 -15.13 1 7 0 84 410.499 5 ↓

Analogs

11539408
11539408
10499621
10499621
10499624
10499624

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Popular Name: 5-(4-isopropylphenyl)-5-methyl-3-[(7-methyl-5-oxo-9-thia-2,6-diazabicyclo[4.3.0]nona-1,3,7-trien-3-y 5-(4-isopropylphenyl)-5-methyl-3…

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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) 3.43 -0.68 -15.27 1 7 0 84 410.499 4 ↓

Analogs

11539407
11539407
10499621
10499621
10499624
10499624

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-isopropylphenyl)-5-methyl-3-[(7-methyl-5-oxo-9-thia-2,6-diazabicyclo[4.3.0]nona-1,3,7-trien-3-y 5-(4-isopropylphenyl)-5-methyl-3…

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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) 3.43 -0.71 -15.13 1 7 0 84 410.499 4 ↓

Parameters Provided:

ring.id = 8441
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 = 8441 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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