UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12628495
12628495
12628498
12628498

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Popular Name: 3-[2-(4-chlorophenyl)ethyl]-2-(4-methoxyphenyl)imino-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide 3-[2-(4-chlorophenyl)ethyl]-2-(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) 3.56 -1.56 -10.31 1 6 0 71 431.945 6 ↓

Analogs

33722174
33722174
33722175
33722175

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Popular Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide 3-[2-(3,4-dimethoxyphenyl)ethyl]…

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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) 3.34 1.03 -14.02 1 7 0 80 495.523 8 ↓

Analogs

33715769
33715769
33715770
33715770
33722174
33722174
33722175
33722175

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Popular Name: 3-[2-(4-methoxyphenyl)ethyl]-N-methyl-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide 3-[2-(4-methoxyphenyl)ethyl]-N-m…

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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) 3.75 0.77 -11.76 1 6 0 71 465.497 7 ↓

Analogs

33715769
33715769
33715770
33715770
33718254
33718254
33718255
33718255
33722174
33722174

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Popular Name: N-methyl-4-oxo-3-phenethyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide N-methyl-4-oxo-3-phenethyl-2-[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) 3.70 0.75 -10.48 1 5 0 61 435.471 6 ↓

Analogs

33686665
33686665
33686666
33686666
33711908
33711908
33711909
33711909
33751047
33751047

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Popular Name: 2-(3-chlorophenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide 2-(3-chlorophenyl)imino-3-[2-(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) 3.54 -1.6 -11.7 1 6 0 71 431.945 6 ↓

Analogs

33680279
33680279
33680281
33680281
33686665
33686665
33686666
33686666
33751047
33751047

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Popular Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxamide 3-[2-(3,4-dimethoxyphenyl)ethyl]…

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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) 2.47 -1.13 -13.74 1 7 0 80 427.526 7 ↓

Analogs

33682455
33682455
33682456
33682456

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Popular Name: (2Z,6S)-2-(4-fluorophenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-N-methyl-4-oxo-1,3-thiazinane-6-carboxa (2Z,6S)-2-(4-fluorophenyl)imino-…

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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 8.46 -12.44 1 6 0 71 415.49 6 ↓

Analogs

12628495
12628495

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Popular Name: (2Z,6S)-3-[2-(4-chlorophenyl)ethyl]-2-(4-methoxyphenyl)imino-N-methyl-4-oxo-1,3-thiazinane-6-carboxa (2Z,6S)-3-[2-(4-chlorophenyl)eth…

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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) 3.56 8.9 -12 1 6 0 71 431.945 6 ↓

Analogs

33694445
33694445
33694446
33694446
33698944
33698944
33698945
33698945
33711911
33711911

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Popular Name: (2Z,6S)-2-(4-chlorophenyl)imino-N-methyl-4-oxo-3-phenethyl-1,3-thiazinane-6-carboxamide (2Z,6S)-2-(4-chlorophenyl)imino-…

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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) 3.50 9.62 -10.66 1 5 0 62 401.919 5 ↓

Analogs

33698944
33698944
33698945
33698945
33711911
33711911
33711913
33711913
5952596
5952596

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Popular Name: (2Z,6S)-2-(3-chlorophenyl)imino-N-methyl-4-oxo-3-phenethyl-1,3-thiazinane-6-carboxamide (2Z,6S)-2-(3-chlorophenyl)imino-…

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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) 3.48 9.62 -11.77 1 5 0 62 401.919 5 ↓

Analogs

33686665
33686665
33686666
33686666
33711908
33711908
33711909
33711909
33751047
33751047

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,6S)-2-(3-chlorophenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-N-methyl-4-oxo-1,3-thiazinane-6-carboxa (2Z,6S)-2-(3-chlorophenyl)imino-…

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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) 3.54 8.92 -12.94 1 6 0 71 431.945 6 ↓

Analogs

33705519
33705519
33705521
33705521
34828355
34828355
34828356
34828356

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Popular Name: ethyl ethyl

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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 10.01 -14 1 8 0 97 469.563 9 ↓

Analogs

34828355
34828355
34828356
34828356

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Popular Name: ethyl ethyl

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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 10.04 -14.72 1 8 0 97 469.563 9 ↓

Analogs

33715769
33715769
33715770
33715770
33718254
33718254
33718255
33718255
33722174
33722174

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Popular Name: (2Z,6S)-N-methyl-4-oxo-3-phenethyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide (2Z,6S)-N-methyl-4-oxo-3-pheneth…

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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) 3.70 10.13 -12.76 1 5 0 62 435.471 6 ↓

Analogs

33722174
33722174
33722175
33722175

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide 3-[2-(3,4-dimethoxyphenyl)ethyl]…

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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) 3.34 9.36 -16.13 1 7 0 80 495.523 8 ↓

Parameters Provided:

ring.id = 4767
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 = 4767 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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