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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: 5-cyclopropyl-4-(4-dimethylaminophenyl)-1,2,4-triazole-3-thiol 5-cyclopropyl-4-(4-dimethylamino…

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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) 1.28 9.21 -11.19 1 4 0 37 260.366 3 ↓
Mid Mid (pH 6-8) 2.00 9.36 -51 0 4 -1 34 259.358 3 ↓

Analogs

7141836
7141836

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Popular Name: 2-[(3-cyclopropyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-amino]-N-(3-methoxypropyl)aceta 2-[(3-cyclopropyl-4-phenyl-5-thi…

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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) 1.12 11.32 -43.89 2 7 1 66 390.533 10 ↓
Mid Mid (pH 6-8) 1.12 8.9 -18.17 1 7 0 64 389.525 10 ↓

Analogs

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Popular Name: 5-cyclopropyl-4-[2-fluoro-5-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thiol 5-cyclopropyl-4-[2-fluoro-5-(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) 2.58 9.98 -11.53 1 3 0 34 303.284 3 ↓
Mid Mid (pH 6-8) 3.31 10.15 -48.82 0 3 -1 31 302.276 3 ↓

Analogs

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Popular Name: 5-cyclopropyl-4-[4-(diethylamino)phenyl]-1,2,4-triazole-3-thiol 5-cyclopropyl-4-[4-(diethylamino…

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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) 2.03 11.11 -10.62 1 4 0 37 288.42 5 ↓
Mid Mid (pH 6-8) 2.75 11.26 -50.93 0 4 -1 34 287.412 5 ↓
Lo Low (pH 4.5-6) 2.03 11.19 -32.47 2 4 0 38 289.428 5 ↓

Analogs

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Popular Name: N-[3-[1-[[cyanomethyl(propyl)amino]methyl]-3-cyclopropyl-5-thioxo-1,2,4-triazol-4-yl]phenyl]acetamid N-[3-[1-[[cyanomethyl(propyl)ami…

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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) 1.33 9.84 -20.02 1 7 0 79 384.509 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.54 12.59 -42.89 2 6 1 56 360.507 7 ↓
Hi High (pH 8-9.5) 1.54 10.1 -15.43 1 6 0 55 359.499 7 ↓

Analogs

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Popular Name: 4-(4-butylphenyl)-5-cyclopropyl-1,2,4-triazole-3-thiol 4-(4-butylphenyl)-5-cyclopropyl-…

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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) 3.04 11.81 -10.26 1 3 0 34 273.405 5 ↓
Mid Mid (pH 6-8) 3.77 11.96 -49.58 0 3 -1 31 272.397 5 ↓

Analogs

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Popular Name: 5-cyclopropyl-4-(4-propylphenyl)-1,2,4-triazole-3-thiol 5-cyclopropyl-4-(4-propylphenyl)…

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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) 2.48 11.03 -10.22 1 3 0 34 259.378 4 ↓
Mid Mid (pH 6-8) 3.21 11.18 -49.49 0 3 -1 31 258.37 4 ↓

Analogs

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Popular Name: 5-cyclopropyl-4-(3-fluoro-4-methoxy-phenyl)-1,2,4-triazole-3-thiol 5-cyclopropyl-4-(3-fluoro-4-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) 1.53 8.17 -11.02 1 4 0 43 265.313 3 ↓
Mid Mid (pH 6-8) 2.26 8.32 -45.82 0 4 -1 40 264.305 3 ↓

Analogs

20588874
20588874

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Popular Name: 5-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-1,2,4-triazole-3-thiol 5-cyclopropyl-4-[4-(difluorometh…

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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) 1.79 8.38 -12.98 1 4 0 43 283.303 4 ↓
Mid Mid (pH 6-8) 2.52 8.53 -48.92 0 4 -1 40 282.295 4 ↓

Analogs

20589756
20589756

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Popular Name: 5-cyclopropyl-4-[2-(difluoromethoxy)phenyl]-1,2,4-triazole-3-thiol 5-cyclopropyl-4-[2-(difluorometh…

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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) 1.95 8.52 -13.36 1 4 0 43 283.303 4 ↓
Mid Mid (pH 6-8) 2.68 8.69 -52 0 4 -1 40 282.295 4 ↓

Analogs

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Popular Name: 5-cyclopropyl-4-[3-(methoxymethyl)phenyl]-1,2,4-triazole-3-thiol 5-cyclopropyl-4-[3-(methoxymethy…

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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) 1.32 8.54 -11.53 1 4 0 43 261.35 4 ↓
Mid Mid (pH 6-8) 2.04 8.72 -53.53 0 4 -1 40 260.342 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-cyclopropyl-4-[2-(methoxymethyl)phenyl]-1,2,4-triazole-3-thiol 5-cyclopropyl-4-[2-(methoxymethy…

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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) 1.29 8.93 -11.01 1 4 0 43 261.35 4 ↓
Mid Mid (pH 6-8) 2.02 9.11 -49.34 0 4 -1 40 260.342 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-cyclopropyl-4-(4-methoxy-3-methyl-phenyl)-1,2,4-triazole-3-thiol 5-cyclopropyl-4-(4-methoxy-3-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) 1.82 8.84 -11.22 1 4 0 43 261.35 3 ↓
Mid Mid (pH 6-8) 2.55 8.99 -49.51 0 4 -1 40 260.342 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-cyclopropyl-4-(2-propylphenyl)-1,2,4-triazole-3-thiol 5-cyclopropyl-4-(2-propylphenyl)…

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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 10.71 -9.82 1 3 0 34 259.378 4 ↓
Mid Mid (pH 6-8) 3.37 10.91 -48.55 0 3 -1 31 258.37 4 ↓

Analogs

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Popular Name: 5-cyclopropyl-4-(3-ethoxyphenyl)-1,2,4-triazole-3-thiol 5-cyclopropyl-4-(3-ethoxyphenyl)…

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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) 1.79 9.04 -13.03 1 4 0 43 261.35 4 ↓
Mid Mid (pH 6-8) 2.52 9.22 -53.51 0 4 -1 40 260.342 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-cyclopropyl-4-(4-fluoro-2-methoxy-phenyl)-1,2,4-triazole-3-thiol 5-cyclopropyl-4-(4-fluoro-2-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) 1.53 8.31 -11.51 1 4 0 43 265.313 3 ↓
Mid Mid (pH 6-8) 2.26 8.49 -49.27 0 4 -1 40 264.305 3 ↓

Parameters Provided:

ring.id = 91778
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 = 91778 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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