UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2790131
2790131

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Popular Name: [4-[(2-methoxyphenoxy)methyl]phenyl]-dimethyl-BLAH [4-[(2-methoxyphenoxy)methyl]phe…

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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) 4.91 1.19 -14.02 0 6 0 61 416.506 5 ↓

Analogs

2787177
2787177
2792280
2792280

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Popular Name: [4-[(2-chlorophenoxy)methyl]phenyl]-methyl-BLAHcarboxylic-acid-methyl-ester [4-[(2-chlorophenoxy)methyl]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) 5.78 14.4 -12.78 0 7 0 79 464.934 6 ↓

Analogs

2791975
2791975
2792006
2792006

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Popular Name: [4-[(4-ethylphenoxy)methyl]phenyl]-methyl-BLAHcarboxylic-acid-methyl-ester [4-[(4-ethylphenoxy)methyl]pheny…

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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) 6.06 15.28 -11.19 0 7 0 79 458.543 7 ↓

Analogs

2799681
2799681
2790824
2790824
2791975
2791975
2792006
2792006

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Popular Name: [4-[(4-methoxyphenoxy)methyl]phenyl]-methyl-BLAHcarboxylic-acid-methyl-ester [4-[(4-methoxyphenoxy)methyl]phe…

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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) 5.20 13.14 -12.68 0 8 0 88 460.515 7 ↓

Analogs

2791256
2791256
2791627
2791627

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Popular Name: [4-[(2-bromophenoxy)methyl]phenyl]-methyl-BLAHcarboxylic-acid-methyl-ester [4-[(2-bromophenoxy)methyl]pheny…

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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) 5.91 14.51 -12.66 0 7 0 79 509.385 6 ↓

Analogs

2790824
2790824
2791975
2791975
2792006
2792006

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Popular Name: [4-[(4-ethoxyphenoxy)methyl]phenyl]-methyl-BLAHcarboxylic-acid-methyl-ester [4-[(4-ethoxyphenoxy)methyl]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) 5.58 14.05 -12.46 0 8 0 88 474.542 8 ↓

Analogs

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Popular Name: [4-[(2-bromophenoxy)methyl]phenyl]BLAH [4-[(2-bromophenoxy)methyl]pheny…

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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) 5.46 13.11 -13.08 0 5 0 52 437.322 4 ↓

Analogs

2791975
2791975
2792006
2792006

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Popular Name: [4-[(2,4-dimethylphenoxy)methyl]phenyl]-methyl-BLAHcarboxylic-acid-methyl-ester [4-[(2,4-dimethylphenoxy)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) 5.97 15.26 -11.35 0 7 0 79 458.543 6 ↓

Analogs

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Popular Name: methyl-[4-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]BLAHcarboxylic-acid-methyl-ester methyl-[4-[(2,3,5,6-tetrafluorop…

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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) 5.58 14.25 -11.43 0 7 0 79 502.449 6 ↓

Analogs

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Popular Name: [4-[(2,6-dimethylphenoxy)methyl]phenyl]-methyl-BLAHcarboxylic-acid-methyl-ester [4-[(2,6-dimethylphenoxy)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) 5.95 15.38 -11.21 0 7 0 79 458.543 6 ↓

Analogs

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Popular Name: [4-[(2-chloro-5-methyl-phenoxy)methyl]phenyl]-methyl-BLAHcarboxylic-acid-methyl-ester [4-[(2-chloro-5-methyl-phenoxy)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) 6.20 15.07 -12.58 0 7 0 79 478.961 6 ↓

Analogs

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Popular Name: [4-[(4-fluorophenoxy)methyl]phenyl]-methyl-BLAHcarboxylic-acid-methyl-ester [4-[(4-fluorophenoxy)methyl]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) 5.31 13.91 -11.86 0 7 0 79 448.479 6 ↓

Analogs

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Popular Name: [4-[(4-chloro-3-methyl-phenoxy)methyl]phenyl]-methyl-BLAHcarboxylic-acid-methyl-ester [4-[(4-chloro-3-methyl-phenoxy)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) 6.20 14.95 -11.39 0 7 0 79 478.961 6 ↓

Analogs

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Popular Name: [4-[(4-chlorophenoxy)methyl]phenyl]-methyl-BLAHcarboxylic-acid-methyl-ester [4-[(4-chlorophenoxy)methyl]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) 5.82 14.36 -11.32 0 7 0 79 464.934 6 ↓

Analogs

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Popular Name: [4-[(3-chlorophenoxy)methyl]phenyl]-methyl-BLAHcarboxylic-acid-methyl-ester [4-[(3-chlorophenoxy)methyl]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) 5.80 14.37 -11.01 0 7 0 79 464.934 6 ↓

Parameters Provided:

ring.id = 237389
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 = 237389 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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