UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[1-(4-hydroxyphenyl)ethylideneamino]-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide N-[1-(4-hydroxyphenyl)ethylidene…

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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) 2.10 3.11 -21.58 2 8 0 102 430.53 6 ↓

Analogs

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Popular Name: N-[1-(4-hydroxyphenyl)propylideneamino]-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide N-[1-(4-hydroxyphenyl)propyliden…

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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) 2.60 3.88 -19.73 2 8 0 102 444.557 7 ↓

Analogs

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Popular Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[1-(4-hydroxyphenyl)ethylideneamino]acetamide 2-[4-(4-bromophenyl)sulfonylpipe…

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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) 2.46 3.31 -17.24 2 8 0 102 495.399 6 ↓

Analogs

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Popular Name: N-[1-(4-hydroxy-3-methoxy-phenyl)ethylideneamino]-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide N-[1-(4-hydroxy-3-methoxy-phenyl…

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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) 1.92 3.09 -23.1 2 9 0 112 460.556 7 ↓

Analogs

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Popular Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(2-nitrophenyl)methyleneamino]acetamide 2-[4-(4-bromophenyl)sulfonylpipe…

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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 6.09 -21.69 1 10 0 128 510.37 7 ↓

Analogs

15986594
15986594

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Popular Name: 2-[(E)-[[2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]acetyl]hydrazono]methyl]benzoic 2-[(E)-[[2-[4-(4-bromophenyl)sul…

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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 5.71 -52.74 1 9 -1 122 508.374 7 ↓

Analogs

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Popular Name: N-[(2-nitrophenyl)methyleneamino]-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide N-[(2-nitrophenyl)methyleneamino…

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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 6.09 -23.87 1 10 0 128 445.501 7 ↓

Analogs

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Popular Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(2-hydroxy-3-methoxy-phenyl)methyleneamino]acetamide 2-[4-(4-bromophenyl)sulfonylpipe…

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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) 2.57 2.81 -21.42 2 9 0 112 511.398 7 ↓
Hi High (pH 8-9.5) 2.57 3.73 -65.75 1 9 -1 114 510.39 7 ↓

Analogs

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Popular Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(4-nitrophenyl)methyleneamino]acetamide 2-[4-(4-bromophenyl)sulfonylpipe…

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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) 2.98 6.09 -21.69 1 10 0 128 510.37 7 ↓

Analogs

36579793
36579793

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Popular Name: N-[(2-hydroxyphenyl)methyleneamino]-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide N-[(2-hydroxyphenyl)methyleneami…

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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) 2.61 2.83 -19.44 2 8 0 102 416.503 6 ↓
Hi High (pH 8-9.5) 2.61 3.6 -49.79 1 8 -1 105 415.495 6 ↓

Analogs

16478963
16478963
16491047
16491047

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Popular Name: N-[(2-chloro-5-nitro-phenyl)methyleneamino]-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide N-[(2-chloro-5-nitro-phenyl)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) 3.23 6.77 -20.42 1 10 0 128 479.946 7 ↓

Analogs

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Popular Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(2-hydroxyphenyl)methyleneamino]acetamide 2-[4-(4-bromophenyl)sulfonylpipe…

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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) 2.97 2.88 -18.5 2 8 0 102 481.372 6 ↓
Hi High (pH 8-9.5) 2.97 3.66 -62.46 1 8 -1 105 480.364 6 ↓

Analogs

35447275
35447275

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Popular Name: 2-[4-(p-tolylsulfonyl)piperazin-1-yl]-N-[[2-(trifluoromethyl)phenyl]methyleneamino]acetamide 2-[4-(p-tolylsulfonyl)piperazin-…

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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) 3.51 6.4 -19.63 1 7 0 82 468.501 7 ↓

Analogs

35457625
35457625

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Popular Name: N-[(2,6-dichlorophenyl)methyleneamino]-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide N-[(2,6-dichlorophenyl)methylene…

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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 6.57 -17.73 1 7 0 82 469.394 6 ↓

Analogs

35447294
35447294

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Popular Name: N-(o-tolylmethyleneamino)-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide N-(o-tolylmethyleneamino)-2-[4-(…

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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) 3.07 6.14 -17.84 1 7 0 82 414.531 6 ↓

Analogs

36094421
36094421

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Popular Name: N-[(2,4-dihydroxyphenyl)methyleneamino]-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide N-[(2,4-dihydroxyphenyl)methylen…

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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) 2.10 0.03 -22.17 3 9 0 123 432.502 6 ↓
Hi High (pH 8-9.5) 2.10 0.81 -66.17 2 9 -1 125 431.494 6 ↓

Analogs

30742566
30742566

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Popular Name: N-[(4-hydroxy-3,5-dimethoxy-phenyl)methyleneamino]-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide N-[(4-hydroxy-3,5-dimethoxy-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) 2.02 2.4 -23.89 2 10 0 121 476.555 8 ↓

Parameters Provided:

ring.id = 52842
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 = 52842 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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