UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

15936627
15936627
15936628
15936628

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Popular Name: tert-butyl-(4-methoxyphenyl)-methyl-(p-tolyl)BLAHtetrone tert-butyl-(4-methoxyphenyl)-met…

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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) 3.96 11.48 -24.79 0 8 0 87 475.545 4 ↓

Analogs

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Popular Name: tert-butyl-(3-fluorophenyl)-(4-methoxyphenyl)-methyl-BLAHtetrone tert-butyl-(3-fluorophenyl)-(4-m…

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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) 3.65 10.86 -25.51 0 8 0 87 479.508 4 ↓

Analogs

15936618
15936618

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Popular Name: tert-butyl-(4-methoxyphenyl)-methyl-(m-tolyl)BLAHtetrone tert-butyl-(4-methoxyphenyl)-met…

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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) 3.94 11.47 -25.02 0 8 0 87 475.545 4 ↓

Analogs

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Popular Name: (3-chlorophenyl)-ethyl-methyl-(p-tolyl)BLAHtetrone (3-chlorophenyl)-ethyl-methyl-(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) 3.75 11.69 -22.49 0 7 0 78 451.91 3 ↓

Analogs

15936627
15936627
15936628
15936628

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Popular Name: tert-butyl-isobutyl-(4-methoxyphenyl)-phenyl-BLAHtetrone tert-butyl-isobutyl-(4-methoxyph…

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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) 4.79 13.05 -24.81 0 8 0 87 503.599 6 ↓

Analogs

15935779
15935779

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Popular Name: tert-butyl-ethyl-(4-methoxyphenyl)-(m-tolyl)BLAHtetrone tert-butyl-ethyl-(4-methoxypheny…

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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 11.99 -25.55 0 8 0 87 489.572 5 ↓

Analogs

38152097
38152097

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Popular Name: diethyl-(p-tolyl)-[4-(trifluoromethyl)phenyl]BLAHtetrone diethyl-(p-tolyl)-[4-(trifluorom…

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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) 4.49 12.73 -21.61 0 7 0 78 499.489 5 ↓

Analogs

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Popular Name: (3-bromophenyl)-ethyl-methyl-(p-tolyl)BLAHtetrone (3-bromophenyl)-ethyl-methyl-(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) 3.88 11.8 -22.41 0 7 0 78 496.361 3 ↓

Analogs

15936632
15936632

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Popular Name: ethyl-methyl-bis(p-tolyl)BLAHtetrone ethyl-methyl-bis(p-tolyl)BLAHtet…

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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) 3.54 11.86 -22.89 0 7 0 78 431.492 3 ↓

Analogs

15936632
15936632
12726465
12726465

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Popular Name: diethyl-phenyl-(p-tolyl)BLAHtetrone diethyl-phenyl-(p-tolyl)BLAHtetrone

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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) 3.60 11.73 -23.84 0 7 0 78 431.492 4 ↓

Analogs

12726644
12726644

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Popular Name: ethyl-(4-methoxyphenyl)-methyl-(p-tolyl)BLAHtetrone ethyl-(4-methoxyphenyl)-methyl-(…

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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) 3.15 10.47 -22.87 0 8 0 87 447.491 4 ↓

Analogs

15935752
15935752
12726625
12726625

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Popular Name: tert-butyl-ethyl-(4-methoxyphenyl)-(p-tolyl)BLAHtetrone tert-butyl-ethyl-(4-methoxypheny…

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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) 4.46 12 -25.17 0 8 0 87 489.572 5 ↓

Analogs

15935752
15935752
12726625
12726625

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Popular Name: tert-butyl-(4-methoxyphenyl)-methyl-phenyl-BLAHtetrone tert-butyl-(4-methoxyphenyl)-met…

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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) 3.51 10.79 -24.77 0 8 0 87 461.518 4 ↓

Analogs

38152062
38152062
38152071
38152071
72111922
72111922

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Popular Name: (4-bromophenyl)-tert-butyl-methyl-phenyl-BLAHtetrone (4-bromophenyl)-tert-butyl-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) 4.26 12.12 -22.84 0 7 0 78 510.388 3 ↓

Analogs

15936625
15936625
15936623
15936623

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Popular Name: ethyl-methyl-phenyl-(p-tolyl)BLAHtetrone ethyl-methyl-phenyl-(p-tolyl)BLA…

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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) 3.09 11.18 -22.94 0 7 0 78 417.465 3 ↓

Analogs

15936653
15936653
15936662
15936662

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Popular Name: diethyl-(3-fluorophenyl)-(p-tolyl)BLAHtetrone diethyl-(3-fluorophenyl)-(p-toly…

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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) 3.74 11.8 -23.33 0 7 0 78 449.482 4 ↓

Analogs

15936651
15936651

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Popular Name: ethyl-(3-fluorophenyl)-isobutyl-phenyl-BLAHtetrone ethyl-(3-fluorophenyl)-isobutyl-…

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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) 4.06 12.76 -23.35 0 7 0 78 463.509 5 ↓

Analogs

15936651
15936651

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Popular Name: ethyl-(3-fluorophenyl)-methyl-(p-tolyl)BLAHtetrone ethyl-(3-fluorophenyl)-methyl-(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) 3.23 11.25 -23.29 0 7 0 78 435.455 3 ↓

Parameters Provided:

ring.id = 254237
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 = 254237 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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