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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: N-[(1S)-1-(4-fluorophenyl)-3,3-dimethyl-butyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[(1S)-1-(4-fluorophenyl)-3,3-d…

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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 3.54 -8.78 3 6 0 91 306.341 5 ↓
Hi High (pH 8-9.5) 1.61 2.02 -40.81 2 6 -1 94 305.333 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(4-fluorophenyl)-3,3-dimethyl-butyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[(1R)-1-(4-fluorophenyl)-3,3-d…

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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 3.51 -8.71 3 6 0 91 306.341 5 ↓
Hi High (pH 8-9.5) 1.61 1.99 -40.88 2 6 -1 94 305.333 5 ↓

Analogs

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Popular Name: N-[[4-isopropoxy-2-(trifluoromethyl)phenyl]methyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[[4-isopropoxy-2-(trifluoromet…

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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) 1.35 2.98 -10.21 3 7 0 100 344.293 6 ↓
Hi High (pH 8-9.5) 1.81 1.47 -44.32 2 7 -1 103 343.285 6 ↓

Analogs

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Popular Name: 5-oxo-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,2-dihydro-1,2,4-triazole-3-carboxamide 5-oxo-N-[(1S)-1-[4-(trifluoromet…

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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) 1.19 2.55 -9.6 3 6 0 91 300.24 4 ↓
Hi High (pH 8-9.5) 1.64 1.04 -41.03 2 6 -1 94 299.232 4 ↓

Analogs

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Popular Name: 5-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,2-dihydro-1,2,4-triazole-3-carboxamide 5-oxo-N-[(1R)-1-[4-(trifluoromet…

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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) 1.19 2.55 -9.57 3 6 0 91 300.24 4 ↓
Hi High (pH 8-9.5) 1.64 1.04 -41.04 2 6 -1 94 299.232 4 ↓

Analogs

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Popular Name: N-[(4-methylsulfanylphenyl)methyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[(4-methylsulfanylphenyl)methy…

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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) 0.17 1.74 -9.25 3 6 0 91 264.31 4 ↓
Mid Mid (pH 6-8) 0.62 -0.82 -47.06 2 6 -1 94 263.302 4 ↓
Lo Low (pH 4.5-6) 0.62 0.27 -23.53 3 6 0 95 264.31 4 ↓

Analogs

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Popular Name: N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[(1R)-1-(3,4-dichlorophenyl)et…

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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) 1.58 2.52 -9.73 3 6 0 91 301.133 3 ↓
Mid Mid (pH 6-8) 2.03 -0.02 -45.04 2 6 -1 94 300.125 3 ↓
Lo Low (pH 4.5-6) 2.03 1.07 -25.45 3 6 0 95 301.133 3 ↓

Analogs

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Popular Name: N-[[3-(methylcarbamoyl)phenyl]methyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[[3-(methylcarbamoyl)phenyl]me…

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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) -1.10 -1.01 -15.43 4 8 0 120 275.268 4 ↓
Mid Mid (pH 6-8) -0.64 -3.57 -54.78 3 8 -1 123 274.26 4 ↓
Lo Low (pH 4.5-6) -0.64 -2.48 -29.07 4 8 0 124 275.268 4 ↓

Analogs

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Popular Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[(2-hydroxy-5-nitro-phenyl)met…

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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) -0.39 -1.41 -13.95 4 10 0 157 279.212 4 ↓
Hi High (pH 8-9.5) 0.06 -2.12 -37.74 3 10 -1 164 278.204 4 ↓
Mid Mid (pH 6-8) 0.07 -3.97 -51.39 3 10 -1 160 278.204 4 ↓

Analogs

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Popular Name: N-[(4-bromo-2-chloro-phenyl)methyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[(4-bromo-2-chloro-phenyl)meth…

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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 1.79 -8.52 3 6 0 91 331.557 3 ↓
Mid Mid (pH 6-8) 1.61 -0.77 -46.59 2 6 -1 94 330.549 3 ↓
Lo Low (pH 4.5-6) 1.61 0.32 -22.42 3 6 0 95 331.557 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[(1S)-1-(4-methylsulfanylpheny…

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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) 0.73 2.57 -9.12 3 6 0 91 278.337 4 ↓
Mid Mid (pH 6-8) 1.18 0.02 -47.57 2 6 -1 94 277.329 4 ↓
Lo Low (pH 4.5-6) 1.18 1.11 -23.48 3 6 0 95 278.337 4 ↓

Analogs

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Popular Name: N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[(1R)-1-(4-methylsulfanylpheny…

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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) 0.73 2.56 -9.13 3 6 0 91 278.337 4 ↓
Mid Mid (pH 6-8) 1.18 0.02 -47.55 2 6 -1 94 277.329 4 ↓
Lo Low (pH 4.5-6) 1.18 1.11 -23.46 3 6 0 95 278.337 4 ↓

Analogs

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Popular Name: N-[(3-methoxy-4-methyl-phenyl)methyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[(3-methoxy-4-methyl-phenyl)me…

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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) 0.17 0.76 -9.38 3 7 0 100 262.269 4 ↓
Mid Mid (pH 6-8) 0.62 -1.8 -47.27 2 7 -1 103 261.261 4 ↓
Lo Low (pH 4.5-6) 0.62 -0.71 -23.34 3 7 0 104 262.269 4 ↓

Analogs

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Popular Name: N-[[3-(ethoxymethyl)phenyl]methyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[[3-(ethoxymethyl)phenyl]methy…

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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) 0.04 1.4 -9.08 3 7 0 100 276.296 6 ↓
Mid Mid (pH 6-8) 0.50 -1.15 -48.55 2 7 -1 103 275.288 6 ↓
Lo Low (pH 4.5-6) 0.50 -0.06 -22.48 3 7 0 104 276.296 6 ↓

Analogs

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Popular Name: N-[(3-nitrophenyl)methyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[(3-nitrophenyl)methyl]-5-oxo-…

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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) -0.33 1.43 -14.25 3 9 0 136 263.213 4 ↓
Mid Mid (pH 6-8) 0.13 -1.13 -50.73 2 9 -1 140 262.205 4 ↓
Lo Low (pH 4.5-6) 0.13 -0.04 -29.72 3 9 0 141 263.213 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(4-bromophenyl)ethyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[(1S)-1-(4-bromophenyl)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) 1.10 2.17 -8.56 3 6 0 91 311.139 3 ↓
Mid Mid (pH 6-8) 1.56 -0.37 -45.75 2 6 -1 94 310.131 3 ↓
Lo Low (pH 4.5-6) 1.56 0.73 -23.51 3 6 0 95 311.139 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(4-bromophenyl)ethyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[(1R)-1-(4-bromophenyl)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) 1.10 2.17 -8.59 3 6 0 91 311.139 3 ↓
Mid Mid (pH 6-8) 1.56 -0.36 -45.75 2 6 -1 94 310.131 3 ↓
Lo Low (pH 4.5-6) 1.56 0.73 -23.5 3 6 0 95 311.139 3 ↓

Parameters Provided:

ring.id = 377771
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 = 377771 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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