UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

534138
534138

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Popular Name: ethyl(phenyl)BLAH ethyl(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) 1.65 1.56 -10.09 0 6 0 60 264.292 2 ↓

Analogs

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Popular Name: (3,4-dimethylphenyl)-ethyl-BLAH (3,4-dimethylphenyl)-ethyl-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) 2.69 2.17 -10.03 0 6 0 60 292.346 2 ↓

Analogs

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Popular Name: tert-butyl-(5-chloro-2-methyl-phenyl)BLAH tert-butyl-(5-chloro-2-methyl-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 2.35 -9.13 0 6 0 60 340.818 2 ↓

Analogs

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Popular Name: (3-chloro-4-methyl-phenyl)-propyl-BLAH (3-chloro-4-methyl-phenyl)-propy…

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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) 3.42 1.85 -8.99 0 6 0 60 326.791 3 ↓

Analogs

539911
539911

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Popular Name: tert-butyl-(3-chloro-4-methyl-phenyl)BLAH tert-butyl-(3-chloro-4-methyl-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) 4.07 2.37 -8.93 0 6 0 60 340.818 2 ↓

Analogs

540836
540836
540849
540849
540989
540989
544044
544044
544418
544418

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Popular Name: tert-butyl-(3-chlorophenyl)BLAH tert-butyl-(3-chlorophenyl)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 2.06 -9.39 0 6 0 60 326.791 2 ↓

Analogs

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Popular Name: (3,4-dichlorophenyl)-methyl-BLAH (3,4-dichlorophenyl)-methyl-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) 2.58 1.27 -8.68 0 6 0 60 319.155 1 ↓

Analogs

534138
534138
539911
539911

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Popular Name: (3-chlorophenyl)-propyl-BLAH (3-chlorophenyl)-propyl-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) 3.02 11.12 -9.42 0 6 0 61 312.764 3 ↓

Analogs

539911
539911

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Popular Name: tert-butyl-(4-chlorophenyl)BLAH tert-butyl-(4-chlorophenyl)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) 3.48 2.06 -8.21 0 6 0 60 326.791 2 ↓

Analogs

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Popular Name: (3-chloro-4-methyl-phenyl)-ethyl-BLAH (3-chloro-4-methyl-phenyl)-ethyl…

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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) 2.92 1.73 -9.26 0 6 0 60 312.764 2 ↓

Analogs

534138
534138
539911
539911

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Popular Name: tert-butyl(phenyl)BLAH tert-butyl(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) 2.81 2.2 -9.82 0 6 0 60 292.346 2 ↓

Analogs

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Popular Name: (3-chloro-4-methyl-phenyl)-methyl-BLAH (3-chloro-4-methyl-phenyl)-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) 2.35 1.71 -9.57 0 6 0 60 298.737 1 ↓

Analogs

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Popular Name: (4-fluorophenyl)-methyl-BLAH (4-fluorophenyl)-methyl-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) 1.25 2.28 -9.15 0 6 0 60 268.255 1 ↓

Analogs

534138
534138

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Popular Name: methyl(phenyl)BLAH methyl(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) 1.08 9.21 -10.38 0 6 0 61 250.265 1 ↓

Parameters Provided:

ring.id = 221106
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 = 221106 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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