UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2-chloro-4-fluoro-phenyl)-[(2-methoxyphenyl)methyl]BLAHone (2-chloro-4-fluoro-phenyl)-[(2-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) 4.28 1.34 -36.67 1 4 1 34 415.916 4 ↓

Analogs

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Popular Name: [4-methoxy-3-(methoxymethyl)phenyl]-[(2-methoxyphenyl)methyl]BLAHone [4-methoxy-3-(methoxymethyl)phen…

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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) 3.45 1.43 -33.4 1 6 1 52 437.56 7 ↓

Analogs

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Popular Name: methyl 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) 4.07 2.94 -43.64 1 5 1 51 405.518 5 ↓

Analogs

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Popular Name: (2-fluoro-5-methoxy-phenyl)-[(4-methoxyphenyl)methyl]BLAHone (2-fluoro-5-methoxy-phenyl)-[(4-…

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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) 3.70 1.37 -35.51 1 5 1 43 411.497 5 ↓

Analogs

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Popular Name: (2-allyloxyphenyl)-(o-tolylmethyl)BLAHone (2-allyloxyphenyl)-(o-tolylmethy…

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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) 4.55 1.77 -32.9 1 4 1 34 403.546 6 ↓

Analogs

12438338
12438338

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Popular Name: (2-fluorophenyl)-[(2-methoxyphenyl)methyl]BLAHone (2-fluorophenyl)-[(2-methoxyphen…

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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) 3.62 1.46 -33.5 1 4 1 34 381.471 4 ↓

Analogs

12074666
12074666

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Popular Name: (3-chlorophenyl)methyl-(3-ethoxy-4-methoxy-phenyl)BLAHone (3-chlorophenyl)methyl-(3-ethoxy…

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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) 4.18 0.96 -38.93 1 5 1 43 441.979 6 ↓

Analogs

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Popular Name: (4-methoxyphenyl)methyl-(o-tolyl)BLAHone (4-methoxyphenyl)methyl-(o-tolyl…

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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 1.04 -33.85 1 4 1 34 377.508 4 ↓

Analogs

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Popular Name: (2-chloro-4-fluoro-phenyl)-[(4-methoxyphenyl)methyl]BLAHone (2-chloro-4-fluoro-phenyl)-[(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) 4.33 1.24 -40.23 1 4 1 34 415.916 4 ↓

Analogs

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Popular Name: (4-methoxy-3-methyl-phenyl)-[(3-methoxyphenyl)methyl]BLAHone (4-methoxy-3-methyl-phenyl)-[(3-…

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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 1.06 -35.57 1 5 1 43 407.534 5 ↓

Analogs

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Popular Name: (3,5-difluorophenyl)-[(4-methoxyphenyl)methyl]BLAHone (3,5-difluorophenyl)-[(4-methoxy…

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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) 3.81 2.23 -39.51 1 4 1 34 399.461 4 ↓

Analogs

14969599
14969599

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Popular Name: (2,6-difluorophenyl)-[(3-methoxyphenyl)methyl]BLAHone (2,6-difluorophenyl)-[(3-methoxy…

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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) 3.76 1.8 -33.83 1 4 1 34 399.461 4 ↓

Analogs

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Popular Name: (4-methoxyphenyl)-(o-tolylmethyl)BLAHone (4-methoxyphenyl)-(o-tolylmethyl…

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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 1.82 -36.93 1 4 1 34 377.508 4 ↓

Analogs

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Popular Name: (2,3-difluorophenyl)-[(2-methoxyphenyl)methyl]BLAHone (2,3-difluorophenyl)-[(2-methoxy…

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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 2.18 -39.12 1 4 1 34 399.461 4 ↓

Analogs

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Popular Name: (3-chlorophenyl)methyl-(2,3-dimethoxyphenyl)BLAHone (3-chlorophenyl)methyl-(2,3-dime…

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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 0.87 -36.23 1 5 1 43 427.952 5 ↓

Analogs

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Popular Name: (3-chlorophenyl)methyl-(4-ethoxyphenyl)BLAHone (3-chlorophenyl)methyl-(4-ethoxy…

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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) 4.59 0.33 -41.48 1 4 1 34 411.953 5 ↓

Parameters Provided:

ring.id = 1241
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 = 1241 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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