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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (2,4,6-trimethylphenyl)methyl (2,4,6-trimethylphenyl)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) 3.20 8.21 -7.81 2 4 0 57 272.348 4 ↓

Analogs

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Popular Name: (2,4,6-trimethylphenyl)methyl (2,4,6-trimethylphenyl)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) 3.58 9.1 -7.54 2 4 0 57 286.375 5 ↓

Analogs

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Popular Name: [(1R)-2-amino-1-(4-fluorophenyl)-2-oxo-ethyl] [(1R)-2-amino-1-(4-fluorophenyl)…

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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) 1.69 6.64 -14.04 2 5 0 74 290.294 5 ↓

Analogs

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Popular Name: [(1S)-2-amino-1-(4-fluorophenyl)-2-oxo-ethyl] [(1S)-2-amino-1-(4-fluorophenyl)…

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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) 1.69 6.68 -14.06 2 5 0 74 290.294 5 ↓

Analogs

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Popular Name: [(1S)-1-(2-chlorophenyl)ethyl] [(1S)-1-(2-chlorophenyl)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) 4.25 8.6 -8.37 1 3 0 42 328.593 4 ↓

Analogs

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Popular Name: [(1S)-1-(4-fluorophenyl)ethyl] [(1S)-1-(4-fluorophenyl)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) 3.78 8.23 -7.37 1 3 0 42 312.138 4 ↓

Analogs

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Popular Name: m-tolylmethyl m-tolylmethyl

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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 8.16 -6.89 1 3 0 42 294.148 4 ↓

Analogs

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Popular Name: (5-acetyl-2-methoxy-phenyl)methyl (5-acetyl-2-methoxy-phenyl)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) 3.14 7.35 -12.43 1 5 0 68 352.184 6 ↓

Analogs

3543377
3543377

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Popular Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic-acid-O4-ethyl-ester-O2-(4-nitrobenzyl)-ester 3,5-dimethyl-1H-pyrrole-2,4-dica…

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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) 3.21 10.33 -13.09 1 8 0 114 346.339 8 ↓

Analogs

4340297
4340297
4549626
4549626
5326532
5326532
5749043
5749043
34557225
34557225

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic-acid-O2-(4-carbomethoxybenzyl)-ester-O4-ethyl-ester 3,5-dimethyl-1H-pyrrole-2,4-dica…

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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 3.74 -12.98 1 7 0 94 359.378 9 ↓

Analogs

3543991
3543991

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Popular Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic-acid-O2-(5-acetyl-2-methoxy-benzyl)-ester-O4-ethyl-ester 3,5-dimethyl-1H-pyrrole-2,4-dica…

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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 3.14 -15.1 1 7 0 94 373.405 9 ↓

Analogs

5326532
5326532
5749043
5749043
34557225
34557225
3483693
3483693
3543989
3543989

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Popular Name: ethyl 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) 3.70 10.3 -9.57 1 5 0 68 315.369 7 ↓

Analogs

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Popular Name: (3-methoxyphenyl)methyl (3-methoxyphenyl)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) 2.62 7.93 -9.3 0 4 0 40 245.278 5 ↓

Analogs

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Popular Name: [(1S)-1-(4-nitrophenyl)ethyl] [(1S)-1-(4-nitrophenyl)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) 2.91 9.99 -10.89 0 6 0 77 274.276 5 ↓

Analogs

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Popular Name: [(1R)-1-(4-nitrophenyl)ethyl] [(1R)-1-(4-nitrophenyl)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) 2.91 10.01 -10.93 0 6 0 77 274.276 5 ↓

Analogs

9057959
9057959
9057960
9057960

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Popular Name: [(1R)-1-(p-tolyl)ethyl] [(1R)-1-(p-tolyl)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) 3.40 9.97 -8.2 0 3 0 31 243.306 4 ↓

Analogs

9057959
9057959
9057960
9057960

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Popular Name: [(1S)-1-(p-tolyl)ethyl] [(1S)-1-(p-tolyl)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) 3.40 9.95 -8.23 0 3 0 31 243.306 4 ↓

Analogs

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Popular Name: (2,5-dimethylphenyl)methyl (2,5-dimethylphenyl)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) 2.82 7.63 -8.26 2 4 0 57 258.321 4 ↓

Analogs

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Popular Name: (2,5-dimethylphenyl)methyl (2,5-dimethylphenyl)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) 3.20 8.49 -8.09 2 4 0 57 272.348 5 ↓

Analogs

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Popular Name: (2,5-dimethylphenyl)methyl (2,5-dimethylphenyl)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) 3.70 9.25 -6.76 2 4 0 57 286.375 6 ↓

Analogs

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Popular Name: (2,5-dimethylphenyl)methyl (2,5-dimethylphenyl)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) 3.56 9.02 -7.83 2 4 0 57 286.375 5 ↓

Analogs

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Popular Name: (2-chloro-6-fluoro-phenyl)methyl (2-chloro-6-fluoro-phenyl)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) 2.74 6.94 -10.04 2 4 0 57 282.702 4 ↓

Analogs

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Popular Name: (2-chloro-6-fluoro-phenyl)methyl (2-chloro-6-fluoro-phenyl)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) 3.12 7.82 -10.02 2 4 0 57 296.729 5 ↓

Analogs

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Popular Name: (2-chloro-6-fluoro-phenyl)methyl (2-chloro-6-fluoro-phenyl)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) 3.62 8.58 -9.81 2 4 0 57 310.756 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-chloro-6-fluoro-phenyl)methyl (2-chloro-6-fluoro-phenyl)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) 3.48 8.38 -9.71 2 4 0 57 310.756 5 ↓

Analogs

43457961
43457961
43459986
43459986
43459988
43459988
43459989
43459989

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Popular Name: (3-fluorophenyl)methyl (3-fluorophenyl)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) 2.88 7.99 -7.75 2 4 0 57 276.311 5 ↓

Analogs

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Popular Name: (3,4-dimethoxyphenyl)methyl (3,4-dimethoxyphenyl)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) 2.77 6.59 -10.33 1 5 0 61 295.722 6 ↓

Analogs

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Popular Name: [(1S)-1-(3-fluoro-4-methoxy-phenyl)ethyl] [(1S)-1-(3-fluoro-4-methoxy-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) 3.64 7.43 -10.5 1 4 0 51 297.713 5 ↓

Analogs

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Popular Name: [(1R)-1-(3-fluoro-4-methoxy-phenyl)ethyl] [(1R)-1-(3-fluoro-4-methoxy-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) 3.64 7.42 -10.52 1 4 0 51 297.713 5 ↓

Parameters Provided:

ring.id = 19575
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 = 19575 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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