UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12535902
12535902
14275320
14275320

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Popular Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(4-ethylphenoxy)acetamide N-[(1S)-1-(1H-benzimidazol-2-yl)…

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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) 3.99 10.14 -15.53 2 5 0 67 383.517 9 ↓

Analogs

14275320
14275320
12535901
12535901

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Popular Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(4-ethylphenoxy)acetamide N-[(1R)-1-(1H-benzimidazol-2-yl)…

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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) 3.99 9.73 -11.78 2 5 0 67 383.517 9 ↓

Analogs

40192317
40192317
40192374
40192374
40192480
40192480
40192481
40192481
40192537
40192537

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Popular Name: 2-(2-isopropyl-5-methyl-phenoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide 2-(2-isopropyl-5-methyl-phenoxy)…

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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 10.15 -14.59 1 5 0 56 351.45 6 ↓

Analogs

6160585
6160585

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Popular Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(2-chlorophenoxy)acetamide N-[(1S)-1-(1H-benzimidazol-2-yl)…

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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) 3.71 9.23 -17.91 2 5 0 67 389.908 8 ↓

Analogs

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Popular Name: N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2-nitrophenoxy)acetamide N-[(1-ethylbenzimidazol-2-yl)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) 2.45 9.63 -24.98 1 8 0 102 354.366 7 ↓
Mid Mid (pH 6-8) 2.45 10.12 -46.65 2 8 1 103 355.374 7 ↓

Analogs

40192276
40192276
40192277
40192277
40192278
40192278
40192394
40192394
40192416
40192416

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Popular Name: 2-(3-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide 2-(3-bromophenoxy)-N-[(1-ethylbe…

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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 9.06 -15.41 1 5 0 56 388.265 6 ↓
Mid Mid (pH 6-8) 3.33 9.54 -37.81 2 5 1 57 389.273 6 ↓

Analogs

40192307
40192307
40192309
40192309
40192332
40192332
40192333
40192333
40192360
40192360

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Popular Name: N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(4-propanoylphenoxy)acetamide N-[(1-ethylbenzimidazol-2-yl)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) 2.94 9.73 -17.55 1 6 0 73 365.433 8 ↓
Mid Mid (pH 6-8) 2.94 10.21 -39.63 2 6 1 74 366.441 8 ↓

Analogs

40192276
40192276
40192277
40192277
40192278
40192278
40192395
40192395
40192416
40192416

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Popular Name: 2-(4-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide 2-(4-bromophenoxy)-N-[(1-ethylbe…

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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) 3.35 9.06 -14.15 1 5 0 56 388.265 6 ↓
Mid Mid (pH 6-8) 3.35 9.54 -36.68 2 5 1 57 389.273 6 ↓

Analogs

40192273
40192273
40192275
40192275
40192276
40192276
40192277
40192277
40192278
40192278

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Popular Name: N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(4-propoxyphenoxy)acetamide N-[(1-ethylbenzimidazol-2-yl)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) 3.48 9.44 -14.9 1 6 0 65 367.449 9 ↓
Mid Mid (pH 6-8) 3.48 9.92 -36.59 2 6 1 67 368.457 9 ↓

Analogs

40189828
40189828
40189829
40189829
40192310
40192310
40192473
40192473
40192512
40192512

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Popular Name: N-[(1-ethylbenzimidazol-2-yl)methyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide N-[(1-ethylbenzimidazol-2-yl)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) 3.23 10.16 -17.8 1 6 0 65 379.46 8 ↓
Mid Mid (pH 6-8) 3.23 10.65 -38.53 2 6 1 67 380.468 8 ↓

Analogs

40183815
40183815
40189826
40189826
40189827
40189827
40192307
40192307
40192310
40192310

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Popular Name: 2-(4-allyl-2-methoxy-phenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide 2-(4-allyl-2-methoxy-phenoxy)-N-…

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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 10.18 -17.75 1 6 0 65 379.46 9 ↓
Mid Mid (pH 6-8) 2.95 10.67 -38.39 2 6 1 67 380.468 9 ↓

Analogs

40192436
40192436

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Popular Name: 2-(2-chloro-4-fluoro-phenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide 2-(2-chloro-4-fluoro-phenoxy)-N-…

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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) 3.31 9.03 -16.33 1 5 0 56 361.804 6 ↓
Mid Mid (pH 6-8) 3.31 9.52 -39.37 2 5 1 57 362.812 6 ↓

Analogs

40192432
40192432
40192435
40192435

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Popular Name: (2R)-2-(3-chlorophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide (2R)-2-(3-chlorophenoxy)-N-[(1-e…

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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 9.53 -12.71 1 5 0 56 357.841 6 ↓
Mid Mid (pH 6-8) 3.56 10.02 -34.56 2 5 1 57 358.849 6 ↓

Analogs

40192435
40192435

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Popular Name: (2S)-2-(3-chlorophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide (2S)-2-(3-chlorophenoxy)-N-[(1-e…

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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 9.53 -14.87 1 5 0 56 357.841 6 ↓
Mid Mid (pH 6-8) 3.56 10.02 -37.54 2 5 1 57 358.849 6 ↓

Analogs

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Popular Name: (2S)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenoxy-butanamide (2S)-N-[(1-methylbenzimidazol-2-…

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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) 3.03 8.69 -14.33 1 5 0 56 323.396 6 ↓
Mid Mid (pH 6-8) 3.03 9.13 -36.96 2 5 1 57 324.404 6 ↓

Analogs

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Popular Name: (2R)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenoxy-butanamide (2R)-N-[(1-methylbenzimidazol-2-…

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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) 3.03 8.72 -14.26 1 5 0 56 323.396 6 ↓
Mid Mid (pH 6-8) 3.03 9.16 -36.86 2 5 1 57 324.404 6 ↓

Analogs

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Popular Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methyl-propyl]-2-[4-(3-oxobutyl)phenoxy]acetamide N-[(1S)-1-(1H-benzimidazol-2-yl)…

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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 10.65 -18.03 2 6 0 84 393.487 9 ↓
Lo Low (pH 4.5-6) 3.64 10.42 -41.35 3 6 1 85 394.495 9 ↓

Analogs

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Popular Name: 2-(2,4-difluorophenoxy)-N-[(5-fluoro-1-methyl-benzimidazol-2-yl)methyl]acetamide 2-(2,4-difluorophenoxy)-N-[(5-fl…

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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) 2.56 7.73 -18.57 1 5 0 56 349.312 5 ↓
Lo Low (pH 4.5-6) 2.56 8.15 -45.01 2 5 1 57 350.32 5 ↓

Analogs

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Popular Name: N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(2-hydroxyphenoxy)acetamide N-[(4,5-dimethyl-1H-benzimidazol…

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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) 2.20 4.79 -16.92 3 6 0 87 325.368 5 ↓
Mid Mid (pH 6-8) 2.20 5.59 -42.05 4 6 1 88 326.376 5 ↓

Parameters Provided:

ring.id = 102944
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 = 102944 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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