UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34976456
34976456

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Popular Name: cyclobutyl-(2,4,5-trimethylphenyl)methanone cyclobutyl-(2,4,5-trimethylpheny…

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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 8.91 -5.44 0 1 0 17 202.297 2 ↓

Analogs

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Popular Name: cyclobutyl-(4-propoxyphenyl)methanone cyclobutyl-(4-propoxyphenyl)meth…

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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 8.04 -6.39 0 2 0 26 218.296 5 ↓

Analogs

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Popular Name: cyclobutyl-(2,5-difluorophenyl)methanone cyclobutyl-(2,5-difluorophenyl)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) 2.76 7.16 -7.43 0 1 0 17 196.196 2 ↓

Analogs

36159440
36159440
19725782
19725782
1765924
1765924
34976554
34976554

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Popular Name: cyclobutyl-(4-propylphenyl)methanone cyclobutyl-(4-propylphenyl)metha…

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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 9.22 -5.98 0 1 0 17 202.297 4 ↓

Analogs

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Popular Name: cyclobutyl-(4-ethoxyphenyl)methanone cyclobutyl-(4-ethoxyphenyl)metha…

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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) 2.94 7.23 -6.66 0 2 0 26 204.269 4 ↓

Analogs

36944199
36944199
36944201
36944201

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Popular Name: cyclobutyl-(5-fluoro-2-methoxy-phenyl)methanone cyclobutyl-(5-fluoro-2-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) 2.65 7.59 -7.77 0 2 0 26 208.232 3 ↓

Analogs

19725782
19725782
36157441
36157441
1765924
1765924

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Popular Name: cyclobutyl-(4-isobutylphenyl)methanone cyclobutyl-(4-isobutylphenyl)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) 3.81 9.68 -5.9 0 1 0 17 216.324 4 ↓

Analogs

36159456
36159456
19725783
19725783
19725784
19725784

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Popular Name: cyclobutyl-[4-[(1R)-1-methylpropyl]phenyl]methanone cyclobutyl-[4-[(1R)-1-methylprop…

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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) 4.36 9.56 -5.82 0 1 0 17 216.324 4 ↓

Analogs

19725783
19725783
19725784
19725784
36159450
36159450

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Popular Name: cyclobutyl-[4-[(1S)-1-methylpropyl]phenyl]methanone cyclobutyl-[4-[(1S)-1-methylprop…

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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) 4.36 9.56 -5.84 0 1 0 17 216.324 4 ↓

Analogs

155452
155452
26891797
26891797

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Popular Name: cyclobutyl-(2,4-dimethoxyphenyl)methanone cyclobutyl-(2,4-dimethoxyphenyl)…

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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) 2.55 6.87 -10.48 0 3 0 36 220.268 4 ↓

Analogs

36944553
36944553
36944555
36944555

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Popular Name: (3-chloro-4-methoxy-phenyl)-cyclobutyl-methanone (3-chloro-4-methoxy-phenyl)-cycl…

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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) 3.17 6.87 -5.99 0 2 0 26 224.687 3 ↓

Analogs

36161787
36161787
31893370
31893370
34489412
34489412

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Popular Name: (5-chloro-2-methoxy-phenyl)-cyclobutyl-methanone (5-chloro-2-methoxy-phenyl)-cycl…

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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) 3.17 8.04 -7.46 0 2 0 26 224.687 3 ↓

Analogs

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Popular Name: cyclobutyl-(2,5-diethylphenyl)methanone cyclobutyl-(2,5-diethylphenyl)me…

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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 9.84 -4.51 0 1 0 17 216.324 4 ↓

Analogs

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Popular Name: (5-bromo-2-ethoxy-phenyl)-cyclobutyl-methanone (5-bromo-2-ethoxy-phenyl)-cyclob…

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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 9.06 -7.29 0 2 0 26 283.165 4 ↓

Parameters Provided:

ring.id = 27464
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 = 27464 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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