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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4106584
4106584

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Popular Name: 2-benzhydrylsulfanyl-3-(o-tolyl)-5H-pyrimido[5,4-b]indol-4-one 2-benzhydrylsulfanyl-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) 7.36 17.25 -13.39 1 4 0 51 473.601 5 ↓

Analogs

7393024
7393024
10243883
10243883
10244067
10244067

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Popular Name: 2-benzhydrylsulfanyl-3-(2-fluorophenyl)-5H-pyrimido[5,4-b]indol-4-one 2-benzhydrylsulfanyl-3-(2-fluoro…

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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) 7.07 16.4 -15.76 1 4 0 51 477.564 5 ↓

Analogs

5086888
5086888
10244284
10244284
10245258
10245258

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Popular Name: 2-benzhydrylsulfanyl-3-(2-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one 2-benzhydrylsulfanyl-3-(2-methox…

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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) 6.96 15.72 -16.22 1 5 0 60 489.6 6 ↓

Analogs

7393049
7393049
17010968
17010968

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Popular Name: 2-benzhydrylsulfanyl-3-(2,3-dimethylphenyl)-5H-pyrimido[5,4-b]indol-4-one 2-benzhydrylsulfanyl-3-(2,3-dime…

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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) 7.76 17.67 -13.25 1 4 0 51 487.628 5 ↓

Analogs

7393071
7393071
17010965
17010965

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Popular Name: 2-benzhydrylsulfanyl-3-(2,5-dimethylphenyl)-5H-pyrimido[5,4-b]indol-4-one 2-benzhydrylsulfanyl-3-(2,5-dime…

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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) 7.99 17.81 -13.24 1 4 0 51 487.628 5 ↓

Analogs

10245020
10245020
10245025
10245025
17041809
17041809

Draw Identity 99% 90% 80% 70%

Popular Name: 2-benzhydrylsulfanyl-3-(3,4-dimethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one 2-benzhydrylsulfanyl-3-(3,4-dime…

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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) 6.60 15.47 -14.75 1 6 0 69 519.626 7 ↓

Analogs

10245258
10245258
10245147
10245147
7393086
7393086

Draw Identity 99% 90% 80% 70%

Popular Name: 2-benzhydrylsulfanyl-3-(2-methoxy-5-methyl-phenyl)-5H-pyrimido[5,4-b]indol-4-one 2-benzhydrylsulfanyl-3-(2-methox…

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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) 7.60 16.38 -16.04 1 5 0 60 503.627 6 ↓

Parameters Provided:

ring.id = 100084
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 = 100084 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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