UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

3638113
3638113

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Popular Name: 1,4-benzenedicarboxamide, N,N'-bis[2-(2-ethoxyethoxy)phenyl]- 1,4-benzenedicarboxamide, N,N'-b…

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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 -1.24 -15.91 2 8 0 95 492.572 14 ↓

Analogs

15589741
15589741
23131520
23131520
23131530
23131530
123301
123301
102699
102699

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Popular Name: dimethyl dimethyl

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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 11.08 -22.81 2 12 0 163 548.504 12 ↓

Analogs

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Popular Name: methyl 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 -1.76 -19.26 4 10 0 151 464.43 8 ↓

Analogs

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Popular Name: methyl 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) 4.03 2.26 -28.11 2 10 0 129 492.484 10 ↓

Analogs

4014687
4014687

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Popular Name: N,N'-bis(2-hydroxy-4-nitro-phenyl)terephthalamide N,N'-bis(2-hydroxy-4-nitro-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) 3.05 -2.99 -20.32 4 12 0 190 438.352 6 ↓

Analogs

37011819
37011819
37040802
37040802

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Popular Name: 1,4-benzenedicarboxamide, N,N'-bis(3,4-dimethoxyphenyl)- 1,4-benzenedicarboxamide, N,N'-b…

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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) 3.01 6.9 -18.85 2 8 0 95 436.464 8 ↓

Analogs

37790335
37790335

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Popular Name: N,N'-bis(4-amino-3,5-dichloro-phenyl)terephthalamide N,N'-bis(4-amino-3,5-dichloro-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) 5.11 6.48 -20.99 6 6 0 110 484.17 4 ↓

Analogs

11654850
11654850
7973307
7973307
7973317
7973317

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Popular Name: N,N'-bis(4-ethoxy-3-methoxy-phenyl)terephthalamide N,N'-bis(4-ethoxy-3-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) 3.76 8.74 -18.57 2 8 0 95 464.518 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N1,N4-bis(3-fluorophenyl)-2-nitro-terephthalamide N1,N4-bis(3-fluorophenyl)-2-nitr…

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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) 3.88 10.28 -33.86 2 7 0 104 397.337 5 ↓

Analogs

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Popular Name: 2-nitro-N1,N4-diphenyl-terephthalamide 2-nitro-N1,N4-diphenyl-terephtha…

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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) 3.61 10.13 -26.6 2 7 0 104 361.357 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N1,N4-bis(4-fluorophenyl)-2-nitro-terephthalamide N1,N4-bis(4-fluorophenyl)-2-nitr…

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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) 3.93 10.24 -28.53 2 7 0 104 397.337 5 ↓

Analogs

36999615
36999615
36999935
36999935
37124679
37124679
37124804
37124804
37124805
37124805

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Popular Name: 1,4-benzenedicarboxamide, N,N'-bis[2-[(dimethylamino)carbonyl]phenyl]- 1,4-benzenedicarboxamide, N,N'-b…

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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) 1.56 8.78 -20.03 2 8 0 99 458.518 6 ↓

Analogs

32150860
32150860
5745122
5745122
3472229
3472229

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Popular Name: 1,4-benzenedicarboxamide, N,N'-bis(3-chloro-4-methoxyphenyl)- 1,4-benzenedicarboxamide, N,N'-b…

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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) 5.04 8.21 -23.95 2 6 0 77 445.302 6 ↓

Analogs

4604665
4604665

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Popular Name: 1,4-benzenedicarboxamide, N,N'-bis[2-[[(1-methylethyl)amino]carbonyl]phenyl]- 1,4-benzenedicarboxamide, N,N'-b…

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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) 3.36 9.37 -17.57 4 8 0 116 486.572 8 ↓

Analogs

6324132
6324132

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Popular Name: 1,4-benzenedicarboxamide, N,N'-bis[2-[(propylamino)carbonyl]phenyl]- 1,4-benzenedicarboxamide, N,N'-b…

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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) 3.77 9.24 -17.5 4 8 0 116 486.572 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,4-benzenedicarboxamide, N,N'-bis[2-[(ethylamino)carbonyl]phenyl]- 1,4-benzenedicarboxamide, N,N'-b…

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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 7.65 -20.94 4 8 0 116 458.518 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,4-benzenedicarboxamide, N,N'-bis[3-(acetylamino)-4-methylphenyl]- 1,4-benzenedicarboxamide, N,N'-b…

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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 8.06 -22.77 4 8 0 116 458.518 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,4-benzenedicarboxamide, N,N'-bis[4-[3-(methylamino)-3-oxopropyl]phenyl]- 1,4-benzenedicarboxamide, N,N'-b…

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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) 3.33 8.04 -24.42 4 8 0 116 486.572 10 ↓

Parameters Provided:

ring.id = 9466
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 = 9466 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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