UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36520151
36520151
36520153
36520153

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Popular Name: (2Z)-2-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-8,9,9-trimethyl-6,7-dihydropyrazino[1,2-a]p (2Z)-2-[[(4-fluorophenyl)methyla…

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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) 1.23 7.05 -78.14 2 7 0 91 360.389 3 ↓
Mid Mid (pH 6-8) 1.23 4.04 -11.39 2 7 0 87 360.389 3 ↓
Mid Mid (pH 6-8) 1.23 4.96 -57.12 1 7 -1 90 359.381 3 ↓

Analogs

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Popular Name: 2-[(2Z)-2-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-9,9-dimethyl-3,4-dioxo-6,7-dihydropyrazi 2-[(2Z)-2-[[(4-fluorophenyl)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) -0.55 4.88 -15.24 2 10 0 125 445.451 4 ↓
Mid Mid (pH 6-8) -0.55 5.83 -54.1 1 10 -1 128 444.443 4 ↓
Lo Low (pH 4.5-6) -0.48 3.66 -46.52 3 10 1 130 446.459 4 ↓

Analogs

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Popular Name: (2Z)-2-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-9,9-dimethyl-8-methylsulfonyl-6,7-dihydropy (2Z)-2-[[(4-fluorophenyl)methyla…

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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) 0.60 3.07 -16.37 2 9 0 122 424.454 4 ↓
Mid Mid (pH 6-8) 0.60 4.01 -57.02 1 9 -1 124 423.446 4 ↓
Lo Low (pH 4.5-6) 0.67 1.85 -46.9 3 9 1 127 425.462 4 ↓

Parameters Provided:

ring.id = 15043
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 = 15043 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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