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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (E)-N-[2-(4-methyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (E)-N-[2-(4-methyl-5-sulfanyl-1,…

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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) 2.06 8.41 -24.51 2 5 0 63 356.373 6 ↓
Mid Mid (pH 6-8) 2.79 8.3 -55.08 1 5 -1 60 355.365 6 ↓

Analogs

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Popular Name: (E)-3-(3-isopropoxyphenyl)-N-[2-(4-methyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]prop-2-enamide (E)-3-(3-isopropoxyphenyl)-N-[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) 1.96 8.26 -24.32 2 6 0 72 346.456 7 ↓
Mid Mid (pH 6-8) 2.69 8.18 -54.99 1 6 -1 69 345.448 7 ↓

Analogs

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Popular Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-[2-(4-methyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]prop-2-enamide (E)-3-(5-bromo-2-methoxy-phenyl)…

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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) 1.80 7.39 -23.01 2 6 0 72 397.298 6 ↓
Mid Mid (pH 6-8) 2.53 7.27 -54.77 1 6 -1 69 396.29 6 ↓

Analogs

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Popular Name: (E)-N-[2-(4-methyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]-3-(4-nitrophenyl)prop-2-enamide (E)-N-[2-(4-methyl-5-sulfanyl-1,…

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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) 1.15 8.12 -27.02 2 8 0 109 333.373 6 ↓
Mid Mid (pH 6-8) 1.87 8 -56.34 1 8 -1 106 332.365 6 ↓

Analogs

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Popular Name: (Z)-2-cyano-3-(4-ethoxyphenyl)-N-[2-(4-methyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]prop-2-enamide (Z)-2-cyano-3-(4-ethoxyphenyl)-N…

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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) 1.34 8.03 -19.95 2 7 0 96 357.439 7 ↓
Mid Mid (pH 6-8) 2.07 7.96 -51.15 1 7 -1 93 356.431 7 ↓

Analogs

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Popular Name: (E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(4-methyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]prop-2 (E)-3-[2-chloro-5-(trifluorometh…

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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) 2.51 8.84 -22.43 2 5 0 63 390.818 6 ↓
Mid Mid (pH 6-8) 3.24 8.72 -53.56 1 5 -1 60 389.81 6 ↓

Analogs

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Popular Name: (E)-3-(5-chloro-2-methoxy-phenyl)-N-[2-(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]prop-2-enami (E)-3-(5-chloro-2-methoxy-phenyl…

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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) 2.41 8.41 -21.86 2 6 0 72 380.901 7 ↓
Hi High (pH 8-9.5) 3.14 8.35 -53.93 1 6 -1 69 379.893 7 ↓

Analogs

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Popular Name: (E)-3-(2-bromophenyl)-N-[2-(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]prop-2-enamide (E)-3-(2-bromophenyl)-N-[2-(4-is…

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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) 2.51 9.03 -23.17 2 5 0 63 395.326 6 ↓
Hi High (pH 8-9.5) 3.23 8.97 -54.7 1 5 -1 60 394.318 6 ↓

Analogs

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Popular Name: (E)-3-(3-chloro-4-methyl-phenyl)-N-[2-(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]prop-2-enamid (E)-3-(3-chloro-4-methyl-phenyl)…

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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) 2.98 9.62 -19.69 2 5 0 63 364.902 6 ↓
Hi High (pH 8-9.5) 3.71 9.56 -51.4 1 5 -1 60 363.894 6 ↓

Analogs

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Popular Name: (E)-3-(2,5-dichlorophenyl)-N-[2-(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]prop-2-enamide (E)-3-(2,5-dichlorophenyl)-N-[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) 3.03 9.48 -20.96 2 5 0 63 385.32 6 ↓
Hi High (pH 8-9.5) 3.76 9.42 -52.51 1 5 -1 60 384.312 6 ↓

Analogs

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Popular Name: (E)-3-[4-(cyanomethoxy)phenyl]-N-[2-(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]prop-2-enamide (E)-3-[4-(cyanomethoxy)phenyl]-N…

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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) 1.77 8.55 -26.62 2 7 0 96 371.466 8 ↓
Hi High (pH 8-9.5) 2.50 8.48 -58.02 1 7 -1 93 370.458 8 ↓

Analogs

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Popular Name: (E)-N-[2-(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]-3-(m-tolyl)prop-2-enamide (E)-N-[2-(4-isopropyl-5-sulfanyl…

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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) 2.35 9.19 -20.73 2 5 0 63 330.457 6 ↓
Hi High (pH 8-9.5) 3.08 9.13 -52.33 1 5 -1 60 329.449 6 ↓

Analogs

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Popular Name: (E)-3-(4-acetamidophenyl)-N-[2-(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]prop-2-enamide (E)-3-(4-acetamidophenyl)-N-[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) 0.78 7.2 -26.79 3 7 0 92 359.455 7 ↓
Hi High (pH 8-9.5) 1.51 6.96 -59.09 2 7 -1 89 358.447 7 ↓

Analogs

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Popular Name: (E)-N-[2-(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]-3-(3-nitrophenyl)prop-2-enamide (E)-N-[2-(4-ethyl-5-sulfanyl-1,2…

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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) 1.50 9.01 -29.82 2 8 0 109 347.4 7 ↓
Hi High (pH 8-9.5) 2.23 8.78 -59.97 1 8 -1 106 346.392 7 ↓

Analogs

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Popular Name: (Z)-N-[2-(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]but-2-enamide (Z)-N-[2-(4-ethyl-5-sulfanyl-1,2…

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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) 2.34 10.01 -22.16 2 5 0 63 384.427 7 ↓
Hi High (pH 8-9.5) 3.07 9.79 -54.69 1 5 -1 60 383.419 7 ↓

Analogs

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Popular Name: (E)-3-(3-chloro-4-methyl-phenyl)-N-[2-(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]prop-2-enamide (E)-3-(3-chloro-4-methyl-phenyl)…

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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) 2.62 9.41 -23.28 2 5 0 63 350.875 6 ↓
Hi High (pH 8-9.5) 3.35 9.18 -54.38 1 5 -1 60 349.867 6 ↓

Analogs

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Popular Name: (E)-N-[2-(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (E)-N-[2-(4-ethyl-5-sulfanyl-1,2…

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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) 2.44 9.31 -24.54 2 5 0 63 370.4 7 ↓
Hi High (pH 8-9.5) 3.16 9.08 -55.48 1 5 -1 60 369.392 7 ↓

Analogs

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Popular Name: (E)-N-[2-(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]-3-(3-isopropoxyphenyl)prop-2-enamide (E)-N-[2-(4-ethyl-5-sulfanyl-1,2…

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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) 2.34 9.15 -23.32 2 6 0 72 360.483 8 ↓
Hi High (pH 8-9.5) 3.06 8.92 -54.47 1 6 -1 69 359.475 8 ↓

Analogs

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Popular Name: (E)-N-[2-(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]-3-(m-tolyl)prop-2-enamide (E)-N-[2-(4-ethyl-5-sulfanyl-1,2…

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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) 1.99 8.97 -21.93 2 5 0 63 316.43 6 ↓
Hi High (pH 8-9.5) 2.71 8.74 -53.66 1 5 -1 60 315.422 6 ↓

Analogs

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Popular Name: (E)-3-(2,6-dichlorophenyl)-N-[2-(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]prop-2-enamide (E)-3-(2,6-dichlorophenyl)-N-[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) 2.64 9.22 -21.27 2 5 0 63 371.293 6 ↓
Hi High (pH 8-9.5) 3.37 8.99 -53.68 1 5 -1 60 370.285 6 ↓

Analogs

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Popular Name: (E)-N-[2-(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]-3-(4-fluorophenyl)prop-2-enamide (E)-N-[2-(4-ethyl-5-sulfanyl-1,2…

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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) 1.73 8.37 -22.69 2 5 0 63 320.393 6 ↓
Hi High (pH 8-9.5) 2.45 8.14 -53.72 1 5 -1 60 319.385 6 ↓

Analogs

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Popular Name: (E)-3-(5-bromo-2-fluoro-phenyl)-N-[2-(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]prop-2-enamide (E)-3-(5-bromo-2-fluoro-phenyl)-…

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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) 2.29 8.97 -22.79 2 5 0 63 399.289 6 ↓
Hi High (pH 8-9.5) 3.01 8.74 -54.38 1 5 -1 60 398.281 6 ↓

Parameters Provided:

ring.id = 462865
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 = 462865 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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