UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[[benzyl(isopropyl)amino]methyl]-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-thione 1-[[benzyl(isopropyl)amino]methy…

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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 13.88 -50.67 1 5 1 40 356.519 5 ↓
Hi High (pH 8-9.5) 3.02 11.96 -24.75 0 5 0 38 355.511 5 ↓

Analogs

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

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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 12.53 -63.95 1 6 1 49 358.491 5 ↓
Hi High (pH 8-9.5) 2.41 10.73 -28.43 0 6 0 48 357.483 5 ↓

Analogs

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Popular Name: 1-[[(4-chlorophenyl)methyl-methyl-amino]methyl]-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-t 1-[[(4-chlorophenyl)methyl-methy…

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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) 3.03 13.75 -66.34 1 5 1 40 362.91 4 ↓
Mid Mid (pH 6-8) 3.03 11.96 -28.08 0 5 0 38 361.902 4 ↓

Analogs

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Popular Name: 1-[[(4-fluorophenyl)methyl-methyl-amino]methyl]-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-t 1-[[(4-fluorophenyl)methyl-methy…

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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) 2.51 13.3 -67.42 1 5 1 40 346.455 4 ↓
Mid Mid (pH 6-8) 2.51 11.5 -28.92 0 5 0 38 345.447 4 ↓

Analogs

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Popular Name: 1-[[(4-dimethylaminophenyl)methyl-methyl-amino]methyl]-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimid 1-[[(4-dimethylaminophenyl)methy…

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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) 2.45 13.7 -60.71 1 6 1 43 371.534 5 ↓
Hi High (pH 8-9.5) 2.45 11.79 -27.83 0 6 0 42 370.526 5 ↓

Analogs

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Popular Name: 5,6,7-trimethyl-1-[[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-[1,2,4]triazolo[1,5-a]py 5,6,7-trimethyl-1-[[methyl-[[2-(…

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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) 3.20 13.6 -23.85 0 5 0 38 395.454 5 ↓
Mid Mid (pH 6-8) 3.20 13.91 -49.71 1 5 1 40 396.462 5 ↓

Analogs

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Popular Name: 1-[[(3,4-difluorophenyl)methyl-methyl-amino]methyl]-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine 1-[[(3,4-difluorophenyl)methyl-m…

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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) 2.61 13.41 -70.41 1 5 1 40 364.445 4 ↓
Mid Mid (pH 6-8) 2.61 11.62 -29.1 0 5 0 38 363.437 4 ↓

Analogs

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Popular Name: 1-[[(3-methoxy-4-methylsulfanyl-phenyl)methyl-methyl-amino]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5- 1-[[(3-methoxy-4-methylsulfanyl-…

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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) 2.39 13.21 -70.15 1 6 1 49 390.558 6 ↓
Mid Mid (pH 6-8) 2.39 11.24 -31.98 0 6 0 48 389.55 6 ↓

Analogs

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Popular Name: 1-[(benzyl-(2,2,2-trifluoroethyl)amino)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-thion 1-[(benzyl-(2,2,2-trifluoroethyl…

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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) 2.90 11.2 -22.99 0 5 0 38 381.427 6 ↓

Parameters Provided:

ring.id = 123294
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 = 123294 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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