UCSF
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Analogs

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Popular Name: 5-[(5-chloro-2-thienyl)methylsulfanyl]-4-isopropyl-1,2,4-triazol-3-amine 5-[(5-chloro-2-thienyl)methylsul…

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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) 3.22 9.07 -9.52 2 4 0 57 288.829 4 ↓

Analogs

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Popular Name: 5-[(3-bromo-2-thienyl)methylsulfanyl]-4-isopropyl-1,2,4-triazol-3-amine 5-[(3-bromo-2-thienyl)methylsulf…

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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) 3.15 9 -10.7 2 4 0 57 333.28 4 ↓

Analogs

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Popular Name: 5-[(5-bromo-2-thienyl)methylsulfanyl]-4-isopropyl-1,2,4-triazol-3-amine 5-[(5-bromo-2-thienyl)methylsulf…

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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) 3.35 9.17 -9.55 2 4 0 57 333.28 4 ↓

Analogs

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Popular Name: 4-isopropyl-5-(2-thienylmethylsulfanyl)-1,2,4-triazol-3-amine 4-isopropyl-5-(2-thienylmethylsu…

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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 8.45 -10.41 2 4 0 57 254.384 4 ↓

Analogs

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Popular Name: 5-[(5-ethyl-2-thienyl)methylsulfanyl]-4-isopropyl-1,2,4-triazol-3-amine 5-[(5-ethyl-2-thienyl)methylsulf…

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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) 3.21 10.07 -10.23 2 4 0 57 282.438 5 ↓

Analogs

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Popular Name: 5-[(4-bromo-2-thienyl)methylsulfanyl]-4-isopropyl-1,2,4-triazol-3-amine 5-[(4-bromo-2-thienyl)methylsulf…

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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) 3.15 9.06 -9.79 2 4 0 57 333.28 4 ↓

Analogs

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Popular Name: 2-[3-[(5-chloro-2-thienyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]acetamide 2-[3-[(5-chloro-2-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) 1.49 5.35 -17.08 2 5 0 74 302.812 5 ↓

Analogs

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Popular Name: 3-[(5-bromo-2-thienyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine 3-[(5-bromo-2-thienyl)methylsulf…

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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) 2.28 6.42 -8.05 2 4 0 57 305.226 3 ↓

Analogs

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Popular Name: 3-[(5-bromo-2-thienyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine 3-[(5-bromo-2-thienyl)methylsulf…

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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 6.73 -6 2 4 0 57 359.196 4 ↓

Analogs

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Popular Name: 2-[3-[(5-bromo-2-thienyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]-N,N-dimethyl-acetamide 2-[3-[(5-bromo-2-thienyl)methyls…

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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 8.85 -16.62 0 5 0 51 375.317 5 ↓

Analogs

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Popular Name: 4-allyl-5-[(5-bromo-2-thienyl)methylsulfanyl]-1,2,4-triazol-3-amine 4-allyl-5-[(5-bromo-2-thienyl)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) 3.25 9.33 -9.92 2 4 0 57 331.264 5 ↓

Parameters Provided:

ring.id = 175992
filter.purchasability = annotated
page.format = targets
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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 = 175992 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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