UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

19865046
19865046
60135389
60135389
60135392
60135392

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Popular Name: 2-dimethylaminoethyl-fluoro-BLAHone 2-dimethylaminoethyl-fluoro-BLAHone

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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) 3.75 11.27 -55.36 1 2 1 22 298.381 3 ↓

Analogs

60135389
60135389
60135392
60135392
19865043
19865043

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Popular Name: 2-dimethylaminoethyl-fluoro-BLAHone 2-dimethylaminoethyl-fluoro-BLAHone

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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) 3.75 11.27 -55.38 1 2 1 22 298.381 3 ↓

Analogs

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Popular Name: BLAHone BLAHone

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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) 2.91 11.64 -8.84 0 1 0 17 284.358 0 ↓

Analogs

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Popular Name: methoxy(methyl)BLAHone methoxy(methyl)BLAHone

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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) 3.97 8.78 -8.66 0 2 0 26 252.313 1 ↓

Analogs

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Popular Name: ethyl(methoxy)BLAHone ethyl(methoxy)BLAHone

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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) 4.44 9.53 -8.35 0 2 0 26 266.34 2 ↓

Analogs

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Popular Name: (9R,10S)-9-methyl-8-phenyl-10-(pyrrolidine-1-carbonyl)-9,10-dihydrocyclohepta[b]quinolin-6-one (9R,10S)-9-methyl-8-phenyl-10-(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) 4.04 11.66 -23.32 0 4 0 50 396.49 2 ↓

Parameters Provided:

ring.id = 53256
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 = 53256 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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