UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4-fluorophenyl)-(p-tolyl)BLAH (4-fluorophenyl)-(p-tolyl)BLAH

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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) 3.72 2.79 -9.8 0 6 0 60 344.353 2 ↓

Analogs

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Popular Name: (3,4-dimethylphenyl)-phenyl-BLAH (3,4-dimethylphenyl)-phenyl-BLAH

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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) 4.15 2.35 -11.04 0 6 0 60 340.39 2 ↓

Analogs

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Popular Name: (4-fluorophenyl)-(m-tolyl)BLAH (4-fluorophenyl)-(m-tolyl)BLAH

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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 2.79 -9.72 0 6 0 60 344.353 2 ↓

Analogs

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Popular Name: (3-fluorophenyl)-(m-tolyl)BLAH (3-fluorophenyl)-(m-tolyl)BLAH

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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) 3.89 2.79 -10.74 0 6 0 60 344.353 2 ↓

Analogs

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Popular Name: (3-fluorophenyl)-(p-tolyl)BLAH (3-fluorophenyl)-(p-tolyl)BLAH

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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 2.79 -10.51 0 6 0 60 344.353 2 ↓

Analogs

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Popular Name: 4-(phenylBLAHyl)resorcinol 4-(phenylBLAHyl)resorcinol

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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) 2.34 6.85 -13.14 2 8 0 101 344.334 2 ↓
Lo Low (pH 4.5-6) 2.14 9.3 -74.17 2 8 0 105 344.334 1 ↓

Analogs

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Popular Name: (3-fluorophenyl)-phenyl-BLAH (3-fluorophenyl)-phenyl-BLAH

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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) 3.25 2.48 -10.82 0 6 0 60 330.326 2 ↓

Analogs

2791007
2791007

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Popular Name: 2-[(4-fluorophenyl)BLAHyl]phenol 2-[(4-fluorophenyl)BLAHyl]phenol

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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) 3.01 0.74 -11.29 1 7 0 81 346.325 2 ↓

Analogs

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Popular Name: (4-fluorophenyl)-phenyl-BLAH (4-fluorophenyl)-phenyl-BLAH

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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) 3.27 2.47 -9.81 0 6 0 60 330.326 2 ↓

Analogs

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Popular Name: (2-fluorophenyl)-(p-tolyl)BLAH (2-fluorophenyl)-(p-tolyl)BLAH

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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) 3.67 2.78 -12.5 0 6 0 60 344.353 2 ↓

Analogs

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Popular Name: (2,4-dimethylphenyl)-phenyl-BLAH (2,4-dimethylphenyl)-phenyl-BLAH

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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) 4.15 13.71 -10.76 0 6 0 61 340.39 2 ↓

Analogs

2797552
2797552

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Popular Name: phenyl-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]BLAH phenyl-[3-(1,1,2,2-tetrafluoroet…

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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) 4.34 12.98 -12.43 0 7 0 70 428.349 5 ↓

Analogs

2800578
2800578
5180305
5180305
5205815
5205815
6408122
6408122
27795865
27795865

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Popular Name: [2-(difluoromethoxy)phenyl]-phenyl-BLAH [2-(difluoromethoxy)phenyl]-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) 3.68 2.98 -13.81 0 7 0 70 378.342 4 ↓

Analogs

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Popular Name: (3-methoxyphenyl)-phenyl-BLAH (3-methoxyphenyl)-phenyl-BLAH

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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) 3.14 1.76 -12.13 0 7 0 70 342.362 3 ↓

Analogs

5150482
5150482
5245027
5245027
6810138
6810138
9158143
9158143
794134
794134

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Popular Name: [4-(difluoromethoxy)-3-methoxy-phenyl]-phenyl-BLAH [4-(difluoromethoxy)-3-methoxy-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) 3.31 3.08 -13.8 0 8 0 79 408.368 5 ↓

Analogs

5307135
5307135
6810133
6810133
6810134
6810134
206090
206090
1000823
1000823

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Popular Name: [4-(difluoromethoxy)phenyl]-phenyl-BLAH [4-(difluoromethoxy)phenyl]-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) 3.72 11.84 -12.95 0 7 0 70 378.342 4 ↓

Analogs

2802616
2802616
5245027
5245027
6810138
6810138
794134
794134
794137
794137

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Popular Name: [4-(difluoromethoxy)-3-ethoxy-phenyl]-phenyl-BLAH [4-(difluoromethoxy)-3-ethoxy-ph…

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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) 3.69 12.67 -13.59 0 8 0 79 422.395 6 ↓

Analogs

2800223
2800223
206088
206088
206099
206099

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Popular Name: phenyl-[4-(2,2,2-trifluoroethoxymethyl)phenyl]BLAH phenyl-[4-(2,2,2-trifluoroethoxy…

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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) 3.99 13.43 -14.44 0 7 0 70 424.386 6 ↓

Analogs

2797559
2797559

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Popular Name: phenyl-[4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]BLAH phenyl-[4-(2,2,3,3-tetrafluoropr…

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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) 4.27 14.31 -14.44 0 7 0 70 456.403 7 ↓

Analogs

2799837
2799837

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Popular Name: (4-nitrophenyl)-phenyl-BLAH (4-nitrophenyl)-phenyl-BLAH

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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) 3.07 2.25 -12.01 0 9 0 106 357.333 3 ↓

Analogs

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Popular Name: phenyl-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]BLAH phenyl-[3-(2,2,3,3-tetrafluoropr…

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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) 4.25 14.3 -14.8 0 7 0 70 456.403 7 ↓

Parameters Provided:

ring.id = 221040
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 = 221040 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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