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

Analogs

7393003
7393003
7392995
7392995
10243642
10243642

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-naphthylmethylsulfanyl)-3-(o-tolyl)-5H-pyrimido[5,4-b]indol-4-one 2-(1-naphthylmethylsulfanyl)-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) 6.93 15.95 -13.75 1 4 0 51 447.563 4 ↓

Analogs

7393024
7393024
5106258
5106258
10244067
10244067

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Popular Name: 3-(2-fluorophenyl)-2-(1-naphthylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one 3-(2-fluorophenyl)-2-(1-naphthyl…

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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) 6.65 15.12 -16.17 1 4 0 51 451.526 4 ↓

Analogs

5086888
5086888
10244284
10244284
10245258
10245258

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-methoxyphenyl)-2-(1-naphthylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one 3-(2-methoxyphenyl)-2-(1-naphthy…

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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) 6.54 14.41 -16.53 1 5 0 60 463.562 5 ↓

Analogs

17177796
17177796
17135907
17135907

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-naphthylmethylsulfanyl)-3-[4-(trifluoromethoxy)phenyl]-5H-pyrimido[5,4-b]indol-4-one 2-(1-naphthylmethylsulfanyl)-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) 7.29 14.79 -11.34 1 5 0 60 517.532 6 ↓

Analogs

7393049
7393049
7393039
7393039
7393071
7393071

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,3-dimethylphenyl)-2-(1-naphthylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one 3-(2,3-dimethylphenyl)-2-(1-naph…

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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) 7.33 16.38 -13.65 1 4 0 51 461.59 4 ↓

Analogs

7393071
7393071
7393065
7393065
7393049
7393049

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,5-dimethylphenyl)-2-(1-naphthylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one 3-(2,5-dimethylphenyl)-2-(1-naph…

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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) 7.57 16.51 -13.59 1 4 0 51 461.59 4 ↓

Analogs

10245020
10245020
4106607
4106607
17041809
17041809

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,4-dimethoxyphenyl)-2-(1-naphthylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one 3-(3,4-dimethoxyphenyl)-2-(1-nap…

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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) 6.18 14.2 -15.09 1 6 0 69 493.588 6 ↓

Analogs

10245258
10245258
7393086
7393086
10245260
10245260

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-methoxy-5-methyl-phenyl)-2-(1-naphthylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one 3-(2-methoxy-5-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) 7.18 15.09 -16.5 1 5 0 60 477.589 5 ↓

Parameters Provided:

ring.id = 100097
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 = 100097 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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