UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-(4-tert-butylanilino)-8-(4-tert-butylphenyl)-7-imino-pyrazino[2,3-b]pyrazine-2,3-dicarbonitrile 6-(4-tert-butylanilino)-8-(4-ter…

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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) 3.47 14.76 -40.02 3 8 1 128 477.596 5 ↓
Mid Mid (pH 6-8) 5.53 14.49 -6.67 2 8 0 127 476.588 5 ↓
Mid Mid (pH 6-8) 3.47 14.25 -13.81 2 8 0 130 476.588 5 ↓

Analogs

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Popular Name: 7-imino-6-(4-methylanilino)-8-(p-tolyl)pyrazino[2,3-b]pyrazine-2,3-dicarbonitrile 7-imino-6-(4-methylanilino)-8-(p…

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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) 0.96 11.47 -39.46 3 8 1 128 393.434 3 ↓
Mid Mid (pH 6-8) 3.01 11.19 -7.4 2 8 0 127 392.426 3 ↓
Mid Mid (pH 6-8) 0.96 10.96 -14.51 2 8 0 130 392.426 3 ↓

Analogs

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Popular Name: 7-imino-6-(2,4,6-trimethylanilino)-8-(2,4,6-trimethylphenyl)pyrazino[2,3-b]pyrazine-2,3-dicarbonitri 7-imino-6-(2,4,6-trimethylanilin…

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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) 2.46 14.17 -38.01 3 8 1 128 449.542 3 ↓
Mid Mid (pH 6-8) 4.94 14.05 -7.14 2 8 0 127 448.534 3 ↓

Parameters Provided:

ring.id = 197889
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 = 197889 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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