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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-bromophenyl)BLAH (2-bromophenyl)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) 4.46 -0.77 -10.64 0 4 0 43 371.263 1 ↓

Analogs

2797952
2797952
2797953
2797953
2798015
2798015
2798016
2798016
2803041
2803041

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Popular Name: (4-nitrophenyl)BLAH (4-nitrophenyl)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) 3.66 0.29 -10.12 0 7 0 88 337.364 2 ↓

Analogs

2787622
2787622
2788969
2788969
2790229
2790229
2790230
2790230
12406853
12406853

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Popular Name: [4-(difluoromethoxy)phenyl]BLAH [4-(difluoromethoxy)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) 4.32 0.78 -11.8 0 5 0 52 358.373 3 ↓

Analogs

2788969
2788969
2797538
2797538
12406853
12406853
1251833
1251833

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Popular Name: [3-(1,1,2,2-tetrafluoroethoxy)phenyl]BLAH [3-(1,1,2,2-tetrafluoroethoxy)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) 4.93 11.92 -11.24 0 5 0 52 408.38 4 ↓

Analogs

2788831
2788831

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Popular Name: 2-BLAHylphenol 2-BLAHylphenol

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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) 3.44 8.64 -11.83 1 5 0 63 308.366 1 ↓

Analogs

2790831
2790831
2790832
2790832
2796725
2796725
2786815
2786815

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Popular Name: [2-(difluoromethoxy)phenyl]BLAH [2-(difluoromethoxy)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) 4.27 11.06 -12.84 0 5 0 52 358.373 3 ↓

Analogs

2789808
2789808
2789809
2789809
6251193
6251193
520972
520972
300355
300355

Draw Identity 99% 90% 80% 70%

Popular Name: (4-fluorophenyl)BLAH (4-fluorophenyl)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) 3.87 0.51 -8.74 0 4 0 43 310.357 1 ↓

Analogs

2788166
2788166
2786135
2786135
545767
545767

Draw Identity 99% 90% 80% 70%

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

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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) 4.58 1.27 -13.56 0 5 0 52 404.417 5 ↓

Analogs

2789921
2789921
2791244
2791244
2796691
2796691
2786815
2786815
2786912
2786912

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(difluoromethoxy)-3-methoxy-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) 3.91 1.11 -12.52 0 6 0 61 388.399 4 ↓

Analogs

2790776
2790776
2797538
2797538
6920454
6920454
12406853
12406853
12407590
12407590

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(difluoromethoxy)-3-ethoxy-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) 4.28 1.12 -12.31 0 6 0 61 402.426 5 ↓

Parameters Provided:

ring.id = 235401
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 = 235401 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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