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

Analogs

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Popular Name: 1,3-diphenyl-5-[2-(2-thienyl)ethyl]-1,3,5-triazinane-2-thione 1,3-diphenyl-5-[2-(2-thienyl)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) 5.74 13.58 -13.16 0 3 0 10 379.554 5 ↓

Analogs

12401907
12401907

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Popular Name: 1-(2-furylmethyl)-5-[(1S)-1-phenylethyl]-1,3,5-triazinane-2-thione 1-(2-furylmethyl)-5-[(1S)-1-phen…

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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) 3.01 8.35 -15.12 1 4 0 32 301.415 4 ↓
Lo Low (pH 4.5-6) 3.05 10.27 -53.61 2 4 1 35 302.423 4 ↓

Analogs

12401906
12401906

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Popular Name: 1-(2-furylmethyl)-5-[(1R)-1-phenylethyl]-1,3,5-triazinane-2-thione 1-(2-furylmethyl)-5-[(1R)-1-phen…

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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) 3.01 8.36 -14.52 1 4 0 32 301.415 4 ↓
Lo Low (pH 4.5-6) 3.05 10.38 -58.26 2 4 1 35 302.423 4 ↓

Analogs

12401909
12401909

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Popular Name: 1-(4-chlorophenyl)-5-[(1S)-1-phenylethyl]-1,3,5-triazinane-2-thione 1-(4-chlorophenyl)-5-[(1S)-1-phe…

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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) 4.73 10.26 -11.54 1 3 0 19 331.872 3 ↓

Analogs

12401908
12401908

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Popular Name: 1-(4-chlorophenyl)-5-[(1R)-1-phenylethyl]-1,3,5-triazinane-2-thione 1-(4-chlorophenyl)-5-[(1R)-1-phe…

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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) 4.73 10.25 -11.45 1 3 0 19 331.872 3 ↓

Analogs

12401911
12401911

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Popular Name: 5-[(1S)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]-1,3,5-triazinane-2-thione 5-[(1S)-1-phenylethyl]-1-[3-(tri…

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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) 4.93 10.65 -12.66 1 3 0 19 365.424 4 ↓

Analogs

12401910
12401910

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Popular Name: 5-[(1R)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]-1,3,5-triazinane-2-thione 5-[(1R)-1-phenylethyl]-1-[3-(tri…

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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) 4.93 10.73 -13.17 1 3 0 19 365.424 4 ↓

Analogs

12401913
12401913

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Popular Name: 1-(2-chlorophenyl)-5-[(1S)-1-phenylethyl]-1,3,5-triazinane-2-thione 1-(2-chlorophenyl)-5-[(1S)-1-phe…

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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) 4.68 10.41 -13.84 1 3 0 19 331.872 3 ↓

Analogs

12401912
12401912

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Popular Name: 1-(2-chlorophenyl)-5-[(1R)-1-phenylethyl]-1,3,5-triazinane-2-thione 1-(2-chlorophenyl)-5-[(1R)-1-phe…

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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) 4.68 10.41 -13.82 1 3 0 19 331.872 3 ↓

Analogs

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Popular Name: 1-benzyl-3-(6-methoxy-1,3-benzothiazol-2-yl)-5-(3-morpholinopropyl)-1,3,5-triazinane-2-thione 1-benzyl-3-(6-methoxy-1,3-benzot…

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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) 4.48 10.76 -17.4 0 7 0 44 497.69 8 ↓
Mid Mid (pH 6-8) 4.48 13.03 -56.91 1 7 1 46 498.698 8 ↓

Analogs

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Popular Name: (2S)-4-methylsulfanyl-2-(4-thioxo-1,3,5-triazinan-1-yl)butanoic (2S)-4-methylsulfanyl-2-(4-thiox…

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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) -1.27 3.5 -43.86 2 5 -1 67 248.353 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-methylsulfanyl-2-(4-thioxo-1,3,5-triazinan-1-yl)butanoic (2R)-4-methylsulfanyl-2-(4-thiox…

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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) -1.27 3.08 -46.15 2 5 -1 67 248.353 5 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 96105 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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