UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-chloro-N-[(5-chloro-2-thienyl)methyl]-N-methyl-pyrazin-2-amine 6-chloro-N-[(5-chloro-2-thienyl)…

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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) 3.36 6.58 -5.04 0 3 0 29 274.176 3 ↓

Analogs

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Popular Name: N-[(5-chloro-2-thienyl)methyl]pyrazin-2-amine N-[(5-chloro-2-thienyl)methyl]py…

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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) 2.31 4.08 -5.78 1 3 0 38 225.704 3 ↓

Analogs

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Popular Name: N-[(4-bromo-2-thienyl)methyl]pyrazin-2-amine N-[(4-bromo-2-thienyl)methyl]pyr…

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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 4.06 -5.83 1 3 0 38 270.155 3 ↓

Analogs

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Popular Name: 5-[[(6-chloropyrazin-2-yl)amino]methyl]-N,N-dimethyl-thiophene-2-sulfonamide 5-[[(6-chloropyrazin-2-yl)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) 1.91 1.91 -13.02 1 6 0 75 332.838 5 ↓

Analogs

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Popular Name: 6-chloro-N-[(3-methyl-2-thienyl)methyl]pyrazin-2-amine 6-chloro-N-[(3-methyl-2-thienyl)…

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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) 2.69 4.44 -5.05 1 3 0 38 239.731 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-thienyl)propyl]pyrazin-2-amine N-[(1S)-1-(2-thienyl)propyl]pyra…

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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 4.21 -5.58 1 3 0 38 219.313 4 ↓

Analogs

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Popular Name: N-[(1R)-1-(2-thienyl)propyl]pyrazin-2-amine N-[(1R)-1-(2-thienyl)propyl]pyra…

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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 5.01 -5.75 1 3 0 38 219.313 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-thienyl)butyl]pyrazin-2-amine N-[(1S)-1-(2-thienyl)butyl]pyraz…

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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) 3.13 5.81 -5.69 1 3 0 38 233.34 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(2-thienyl)butyl]pyrazin-2-amine N-[(1R)-1-(2-thienyl)butyl]pyraz…

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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) 3.13 5.82 -5.69 1 3 0 38 233.34 5 ↓

Analogs

42249927
42249927

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Popular Name: N-[(1S)-1-(5-chloro-2-thienyl)ethyl]pyrazin-2-amine N-[(1S)-1-(5-chloro-2-thienyl)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) 2.87 4.77 -5.82 1 3 0 38 239.731 3 ↓

Analogs

42249922
42249922

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Popular Name: N-[(1R)-1-(5-chloro-2-thienyl)ethyl]pyrazin-2-amine N-[(1R)-1-(5-chloro-2-thienyl)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) 2.87 4.76 -5.82 1 3 0 38 239.731 3 ↓

Parameters Provided:

ring.id = 190727
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 = 190727 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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