UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(4-butylphenyl)-2-[[3-(3-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide N-(4-butylphenyl)-2-[[3-(3-chlor…

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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) 7.10 14.56 -18.06 2 6 0 80 517.054 8 ↓

Analogs

10243685
10243685
9416317
9416317

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Popular Name: N-(4-butylphenyl)-2-[[3-(o-tolyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide N-(4-butylphenyl)-2-[[3-(o-tolyl…

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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) 6.85 15.07 -16.78 2 6 0 80 496.636 8 ↓

Analogs

10243861
10243861
10243777
10243777
10243676
10243676

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Popular Name: N-(3,4-dichlorophenyl)-2-[[3-(o-tolyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide N-(3,4-dichlorophenyl)-2-[[3-(o-…

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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) 6.27 13.04 -18.76 2 6 0 80 509.418 5 ↓

Analogs

10243919
10243919
10243992
10243992
10244032
10244032

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Popular Name: N-(4-butylphenyl)-2-[[3-(2-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide N-(4-butylphenyl)-2-[[3-(2-fluor…

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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) 6.56 14.24 -18.93 2 6 0 80 500.599 8 ↓

Analogs

10244169
10244169
10244151
10244151
10244222
10244222

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Popular Name: N-(4-butylphenyl)-2-[[3-(2-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide N-(4-butylphenyl)-2-[[3-(2-metho…

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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) 6.46 13.53 -19.28 2 7 0 89 512.635 9 ↓

Analogs

10244498
10244498
10244504
10244504
10243687
10243687

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Popular Name: 2-[[3-(2,3-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)ace 2-[[3-(2,3-dimethylphenyl)-4-oxo…

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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) 5.65 14.77 -16.54 2 6 0 80 496.636 5 ↓

Analogs

10244504
10244504
10244562
10244562
10244495
10244495

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Popular Name: N-(4-butylphenyl)-2-[[3-(2,3-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide N-(4-butylphenyl)-2-[[3-(2,3-dim…

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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) 7.25 15.63 -16.76 2 6 0 80 510.663 8 ↓

Analogs

10244504
10244504
10244566
10244566
10244495
10244495

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Popular Name: N-(3-chloro-4-methyl-phenyl)-2-[[3-(2,3-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl] N-(3-chloro-4-methyl-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) 6.44 13.61 -18.27 2 6 0 80 503.027 5 ↓

Analogs

10244498
10244498
10244504
10244504
10244781
10244781

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Popular Name: 2-[[3-(2,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)ace 2-[[3-(2,5-dimethylphenyl)-4-oxo…

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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) 5.88 14.91 -16.48 2 6 0 80 496.636 5 ↓

Analogs

10244777
10244777
10244504
10244504
10244718
10244718

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Popular Name: N-(4-butylphenyl)-2-[[3-(2,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide N-(4-butylphenyl)-2-[[3-(2,5-dim…

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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) 7.48 15.75 -16.74 2 6 0 80 510.663 8 ↓

Analogs

10244504
10244504
10244781
10244781
10244718
10244718

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Popular Name: N-(3-chloro-4-methyl-phenyl)-2-[[3-(2,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl] N-(3-chloro-4-methyl-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) 6.67 13.74 -18.29 2 6 0 80 503.027 5 ↓

Analogs

10245182
10245182
10245221
10245221
10245181
10245181

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Popular Name: N-(4-butylphenyl)-2-[[3-(2-methoxy-5-methyl-phenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acet N-(4-butylphenyl)-2-[[3-(2-metho…

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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) 7.09 14.21 -19.18 2 7 0 89 526.662 9 ↓

Analogs

10244940
10244940
10244976
10244976

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Popular Name: N-(4-acetamidophenyl)-2-[3-(3,4-dimethoxyphenyl)-4-hydroxy-pyrimido[5,4-b]indol-2-yl]sulfanyl-acetam N-(4-acetamidophenyl)-2-[3-(3,4-…

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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) 3.45 9.15 -26.97 3 10 0 127 543.605 8 ↓

Analogs

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Popular Name: 4-[[2-[3-(3,4-dimethoxyphenyl)-4-hydroxy-pyrimido[5,4-b]indol-2-yl]sulfanylacetyl]amino]benzamide 4-[[2-[3-(3,4-dimethoxyphenyl)-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) 3.05 7.05 -27.02 4 10 0 141 529.578 8 ↓

Parameters Provided:

ring.id = 13581
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 = 13581 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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