UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5,6,7-trimethyl-1-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-thione 5,6,7-trimethyl-1-[(4-phenylpipe…

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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) 2.54 11.93 -27.52 0 6 0 42 368.51 3 ↓
Mid Mid (pH 6-8) 2.54 13.59 -63.48 1 6 1 43 369.518 3 ↓

Analogs

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Popular Name: 1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-thi 1-[[4-(4-methoxyphenyl)piperazin…

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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) 2.60 11.22 -28.83 0 7 0 51 398.536 4 ↓
Mid Mid (pH 6-8) 2.60 12.88 -65.8 1 7 1 52 399.544 4 ↓

Analogs

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Popular Name: 1-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-thi 1-[[4-(2-hydroxyphenyl)piperazin…

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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) 2.27 9.5 -26.46 1 7 0 62 384.509 3 ↓
Mid Mid (pH 6-8) 2.27 11.25 -59.91 2 7 1 63 385.517 3 ↓

Analogs

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Popular Name: 5,7-dimethyl-1-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-thione 5,7-dimethyl-1-[(4-phenylpiperaz…

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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) 2.16 11.48 -28.57 0 6 0 42 354.483 3 ↓

Analogs

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Popular Name: 1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-thione 1-[[4-(4-fluorophenyl)piperazin-…

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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 11.54 -29.68 0 6 0 42 372.473 3 ↓
Mid Mid (pH 6-8) 2.33 13.21 -69.45 1 6 1 43 373.481 3 ↓

Analogs

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Popular Name: 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-thione 1-[[4-(3-chlorophenyl)piperazin-…

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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) 2.82 11.99 -30.01 0 6 0 42 388.928 3 ↓

Parameters Provided:

ring.id = 123287
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 = 123287 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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