UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12034250
12034250

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Popular Name: N-[(1R)-1-[7-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]diaz N-[(1R)-1-[7-[(E)-3-(2-methoxyph…

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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) 2.33 0.66 -58.93 2 8 1 87 422.509 7 ↓

Analogs

12034247
12034247

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Popular Name: N-[(1S)-1-[7-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]diaz N-[(1S)-1-[7-[(E)-3-(2-methoxyph…

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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) 2.33 0.87 -59.37 2 8 1 87 422.509 7 ↓

Analogs

12042140
12042140

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Popular Name: N-[(1R)-3-methyl-1-[7-[(E)-2-methyl-3-phenyl-prop-2-enyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][ N-[(1R)-3-methyl-1-[7-[(E)-2-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) 4.32 1.41 -59.08 2 7 1 77 448.591 8 ↓

Analogs

12042137
12042137

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Popular Name: N-[(1S)-3-methyl-1-[7-[(E)-2-methyl-3-phenyl-prop-2-enyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][ N-[(1S)-3-methyl-1-[7-[(E)-2-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) 4.32 1.39 -60.13 2 7 1 77 448.591 8 ↓

Analogs

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Popular Name: N-[[7-[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]diaze N-[[7-[(E)-3-(4-dimethylaminophe…

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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) 2.24 -0.48 -62.48 2 9 1 90 465.578 9 ↓

Parameters Provided:

ring.id = 82146
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 = 82146 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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