UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]ethyl]imidazolidine-2,4-dione 3-[2-[4-(2,2,2-trifluoroacetyl)t…

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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 0.75 -14.45 1 8 0 97 291.189 5 ↓

Analogs

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Popular Name: 3-[2-[4-(1-amino-1-methyl-ethyl)triazol-1-yl]ethyl]imidazolidine-2,4-dione 3-[2-[4-(1-amino-1-methyl-ethyl)…

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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) -0.85 -0.99 -56.03 4 8 1 108 253.286 4 ↓
Hi High (pH 8-9.5) -0.85 -1.25 -14.6 3 8 0 106 252.278 4 ↓

Analogs

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Popular Name: 3-[2-[4-(1-amino-1-methyl-ethyl)triazol-1-yl]ethyl]-5,5-dimethyl-imidazolidine-2,4-dione 3-[2-[4-(1-amino-1-methyl-ethyl)…

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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) -0.04 0.37 -52.16 4 8 1 108 281.34 4 ↓
Hi High (pH 8-9.5) -0.04 0.11 -12.33 3 8 0 106 280.332 4 ↓

Parameters Provided:

ring.id = 103907
filter.purchasability = annotated
page.format = targets
page.num = 1
iosrcn = bgt
iocnl3 = legacy
iosrct = trackref

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 = 103907 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=103907&filter.purchasability=annotated

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