UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[(4-benzylpiperazin-1-yl)methyl]-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-thione 1-[(4-benzylpiperazin-1-yl)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) 2.24 13.29 -62.16 1 6 1 43 383.545 4 ↓
Mid Mid (pH 6-8) 2.24 11.02 -26.04 0 6 0 42 382.537 4 ↓
Mid Mid (pH 6-8) 2.24 12.72 -59.46 1 6 1 43 383.545 4 ↓

Analogs

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

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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 12.43 -66.49 1 6 1 43 403.963 4 ↓
Mid Mid (pH 6-8) 2.54 12.39 -64.92 1 6 1 43 403.963 4 ↓
Mid Mid (pH 6-8) 2.54 10.06 -28.93 0 6 0 42 402.955 4 ↓

Parameters Provided:

ring.id = 123319
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 = 123319 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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