UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-benzyl-N-[(4-methoxyphenyl)methyl]-3-methylsulfonyl-benzamide N-benzyl-N-[(4-methoxyphenyl)met…

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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 8.52 -17.8 0 5 0 64 409.507 7 ↓

Analogs

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Popular Name: N,N-dibenzyl-4-(ethyl-methylsulfonyl-amino)benzamide N,N-dibenzyl-4-(ethyl-methylsulf…

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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 10.69 -16.78 0 5 0 58 422.55 8 ↓

Analogs

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Popular Name: N,N-dibenzyl-3-chloro-4,5-dimethoxy-benzamide N,N-dibenzyl-3-chloro-4,5-dimeth…

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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) 4.15 11.65 -8.21 0 4 0 39 395.886 7 ↓

Analogs

44818428
44818428
8431113
8431113

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Popular Name: N,N-dibenzyl-4-(difluoromethoxy)-3-methoxy-benzamide N,N-dibenzyl-4-(difluoromethoxy)…

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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) 3.90 11.28 -10.99 0 4 0 39 397.421 8 ↓

Analogs

8431224
8431224

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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) 3.87 12.45 -9.72 0 4 0 47 359.425 7 ↓

Analogs

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Popular Name: N,N-dibenzyl-4-ethoxy-3-methoxy-benzamide N,N-dibenzyl-4-ethoxy-3-methoxy-…

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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) 3.72 11.92 -11.3 0 4 0 39 375.468 8 ↓

Analogs

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Popular Name: N,N-dibenzyl-4-chloro-3-methylsulfonyl-benzamide N,N-dibenzyl-4-chloro-3-methylsu…

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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 9.75 -15.62 0 4 0 54 413.926 6 ↓

Analogs

36226714
36226714

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Popular Name: N,N-dibenzyl-4-chloro-3-(dimethylsulfamoyl)benzamide N,N-dibenzyl-4-chloro-3-(dimethy…

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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 10.03 -14.33 0 5 0 58 442.968 7 ↓

Analogs

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Popular Name: N,N-dibenzyl-3-ethoxy-4-methoxy-benzamide N,N-dibenzyl-3-ethoxy-4-methoxy-…

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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) 3.72 11.93 -11.39 0 4 0 39 375.468 8 ↓

Analogs

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Popular Name: N,N-dibenzyl-4-(ureidomethyl)benzamide N,N-dibenzyl-4-(ureidomethyl)ben…

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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) 2.54 8.06 -14.19 3 5 0 75 373.456 7 ↓

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) 3.76 13.13 -9.73 0 7 0 92 404.422 8 ↓

Analogs

12552701
12552701
23055112
23055112
8761825
8761825
10270315
10270315

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Popular Name: N,N-dibenzyl-3-methylsulfonyl-benzamide N,N-dibenzyl-3-methylsulfonyl-be…

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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 9.33 -17.13 0 4 0 54 379.481 6 ↓

Analogs

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Popular Name: N,N-dibenzyl-2-methyl-5-methylsulfonyl-benzamide N,N-dibenzyl-2-methyl-5-methylsu…

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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) 2.95 10.42 -17.71 0 4 0 54 393.508 6 ↓

Analogs

42354522
42354522
45243927
45243927
5825205
5825205
19504242
19504242

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Popular Name: N,N-dibenzyl-3-cyano-benzamide N,N-dibenzyl-3-cyano-benzamide

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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) 3.43 12.21 -12.67 0 3 0 44 326.399 5 ↓

Analogs

36701216
36701216
30897409
30897409

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Popular Name: N,N-dibenzyl-4-ureido-benzamide N,N-dibenzyl-4-ureido-benzamide

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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) 2.84 7.81 -13.4 3 5 0 75 359.429 6 ↓

Analogs

6983474
6983474

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Popular Name: N,N-dibenzyl-4-(methylsulfonylmethyl)benzamide N,N-dibenzyl-4-(methylsulfonylme…

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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 10.01 -19.34 0 4 0 54 393.508 7 ↓

Parameters Provided:

ring.id = 24122
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 = 24122 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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