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

Analogs

12001022
12001022
40172051
40172051
40172052
40172052
40172053
40172053
40172054
40172054

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(p-tolyl)butanamide (2S)-2-(3-amino-5-methylsulfanyl…

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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) 2.30 -0.18 -15.27 3 6 0 86 305.407 5 ↓

Analogs

40172043
40172043
40172044
40172044
40172051
40172051
40172052
40172052
40172053
40172053

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(p-tolyl)butanamide (2R)-2-(3-amino-5-methylsulfanyl…

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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) 2.30 -0.29 -16.93 3 6 0 86 305.407 5 ↓

Analogs

12001027
12001027
40172051
40172051
40172052
40172052
40172067
40172067
40172068
40172068

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(o-tolyl)butanamide (2S)-2-(3-amino-5-methylsulfanyl…

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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) 2.25 0.08 -14.93 3 6 0 86 305.407 5 ↓

Analogs

40172051
40172051
40172052
40172052
40172053
40172053
40172054
40172054
40172067
40172067

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(o-tolyl)butanamide (2R)-2-(3-amino-5-methylsulfanyl…

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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) 2.25 -0.06 -16.75 3 6 0 86 305.407 5 ↓

Analogs

12001042
12001042
40172075
40172075
40172076
40172076
40172077
40172077
40172078
40172078

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(3,4-dimethylphenyl)butanamide (2S)-2-(3-amino-5-ethylsulfanyl-…

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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 0.13 -14.84 3 6 0 86 333.461 6 ↓

Analogs

40172089
40172089
40172090
40172090
40172298
40172298
40172299
40172299
40172300
40172300

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(3,4-dimethylphenyl)butanamide (2R)-2-(3-amino-5-ethylsulfanyl-…

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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 -0.01 -16.74 3 6 0 86 333.461 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-fluoro-4-[isopropyl(methyl)amino]phenyl]-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetamide N-[3-fluoro-4-[isopropyl(methyl)…

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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 10.16 -59.97 1 6 -1 63 364.47 7 ↓
Mid Mid (pH 6-8) 2.28 10.27 -23.51 2 6 0 66 365.478 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetamide N-(5-chloro-2,4-dimethoxy-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) 2.79 7.09 -58.15 1 7 -1 78 369.854 7 ↓
Mid Mid (pH 6-8) 2.06 7.2 -21.37 2 7 0 81 370.862 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(difluoromethoxy)-2-methyl-phenyl]-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetamide N-[3-(difluoromethoxy)-2-methyl-…

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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) 3.11 8.33 -55.38 1 6 -1 69 355.39 7 ↓
Mid Mid (pH 6-8) 2.38 8.44 -21.32 2 6 0 72 356.398 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,6-dibromo-4-nitro-phenyl)acetamide 2-(3-cyano-1,2,4-triazol-4-yl)-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) 1.56 8.78 -19.61 1 9 0 129 430.016 4 ↓
Hi High (pH 8-9.5) 1.74 7.09 -30.84 0 9 -1 136 429.008 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-isopropylphenyl)-2-[3-[(S)-methylsulfinyl]-1,2,4-triazol-4-yl]acetamide N-(3-isopropylphenyl)-2-[3-[(S)-…

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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) 1.07 6.55 -19.04 1 6 0 77 306.391 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-isopropylphenyl)-2-[3-[(R)-methylsulfinyl]-1,2,4-triazol-4-yl]acetamide N-(3-isopropylphenyl)-2-[3-[(R)-…

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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) 1.07 6.29 -35.1 1 6 0 77 306.391 5 ↓

Parameters Provided:

ring.id = 24298
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 = 24298 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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