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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-[methyl(3-thienylmethyl)amino]-1,3,4-thiadiazole-2-thiol 5-[methyl(3-thienylmethyl)amino]…

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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) 2.26 5.87 -43.82 0 3 -1 29 242.374 3 ↓

Analogs

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Popular Name: 5-[(5-bromo-3-thienyl)methyl-methyl-amino]-1,3,4-thiadiazole-2-thiol 5-[(5-bromo-3-thienyl)methyl-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) 3.19 6.6 -41.09 0 3 -1 29 321.27 3 ↓

Analogs

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Popular Name: 2-[[5-[methyl(3-thienylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[methyl(3-thienylmethyl)am…

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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) 1.71 7.22 -47.28 0 5 -1 69 300.41 6 ↓

Analogs

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Popular Name: 2-[[5-[(5-bromo-3-thienyl)methyl-methyl-amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(5-bromo-3-thienyl)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) 2.64 7.95 -45.19 0 5 -1 69 379.306 6 ↓

Analogs

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Popular Name: 5-[[(1S)-1-(3-thienyl)ethyl]amino]-1,3,4-thiadiazole-2-thiol 5-[[(1S)-1-(3-thienyl)ethyl]amin…

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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) 2.57 4.92 -40.34 1 3 -1 38 242.374 3 ↓

Analogs

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Popular Name: 5-[[(1R)-1-(3-thienyl)ethyl]amino]-1,3,4-thiadiazole-2-thiol 5-[[(1R)-1-(3-thienyl)ethyl]amin…

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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) 2.57 4.92 -40.33 1 3 -1 38 242.374 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[[(1S)-1-(3-thienyl)ethyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[[(1S)-1-(3-thienyl)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) 2.02 6.26 -44.41 1 5 -1 78 300.41 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[[(1R)-1-(3-thienyl)ethyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[[(1R)-1-(3-thienyl)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) 2.02 6.26 -44.38 1 5 -1 78 300.41 6 ↓

Analogs

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Popular Name: N-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]-1,3,4-thiadiazol-2-amine N-[(1R)-1-(2,5-dimethyl-3-thieny…

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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) 2.50 6.05 -7.26 1 3 0 38 239.369 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-1,3,4-thiadiazol-2-amine N-[(1S)-1-(2,5-dimethyl-3-thieny…

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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) 2.50 6.07 -7.25 1 3 0 38 239.369 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(3-thienyl)ethyl]-1,3,4-thiadiazol-2-amine N-[(1S)-1-(3-thienyl)ethyl]-1,3,…

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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 4.49 -7.38 1 3 0 38 211.315 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(3-thienyl)ethyl]-1,3,4-thiadiazol-2-amine N-[(1R)-1-(3-thienyl)ethyl]-1,3,…

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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 4.49 -7.36 1 3 0 38 211.315 3 ↓

Analogs

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Popular Name: N-(3-thienylmethyl)-1,3,4-thiadiazol-2-amine N-(3-thienylmethyl)-1,3,4-thiadi…

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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 3.67 -6.96 1 3 0 38 197.288 3 ↓

Analogs

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Popular Name: 5-[[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]amino]-1,3,4-thiadiazole-2-thiol 5-[[(1R)-1-(2,5-dimethyl-3-thien…

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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) 3.02 6.48 -40.08 1 3 -1 38 270.428 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]amino]-1,3,4-thiadiazole-2-thiol 5-[[(1S)-1-(2,5-dimethyl-3-thien…

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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) 3.02 6.51 -40.17 1 3 -1 38 270.428 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[[(1R)-1-(2,5-dimethyl-3-t…

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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) 2.47 7.82 -44.01 1 5 -1 78 328.464 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[[(1S)-1-(2,5-dimethyl-3-t…

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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) 2.47 7.85 -44.04 1 5 -1 78 328.464 6 ↓

Parameters Provided:

ring.id = 5047
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 = 5047 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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