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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

40191621
40191621
40191622
40191622
40191635
40191635
40191636
40191636
40191875
40191875

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Popular Name: N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(2-hydroxyphenyl)propanamide 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) 3.12 6.56 -12.26 2 5 0 67 323.396 6 ↓
Mid Mid (pH 6-8) 3.12 7.04 -31.26 3 5 1 68 324.404 6 ↓

Analogs

16645764
16645764
16645781
16645781
30910742
30910742

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Popular Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-phenyl-propanamide 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) 3.72 9.71 -12.11 2 4 0 58 353.491 8 ↓

Analogs

12539052
12539052

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Popular Name: N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-chlorophenyl)propanamide 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) 3.97 8.25 -9.46 2 4 0 58 327.815 5 ↓

Analogs

12539050
12539050

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Popular Name: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-chlorophenyl)propanamide 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) 3.97 8.25 -9.46 2 4 0 58 327.815 5 ↓

Analogs

40192001
40192001
40192057
40192057
40192058
40192058
40192061
40192061
40192062
40192062

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Popular Name: N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide 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) 2.81 8.47 -16.62 1 7 0 75 397.475 9 ↓
Mid Mid (pH 6-8) 2.81 8.96 -39.09 2 7 1 76 398.483 9 ↓

Analogs

40191733
40191733
40191734
40191734
40191845
40191845
40191846
40191846
40191952
40191952

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Popular Name: 3-(3,4-dimethoxyphenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide 3-(3,4-dimethoxyphenyl)-N-[(1-et…

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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) 2.83 8.55 -15.14 1 6 0 65 367.449 8 ↓
Mid Mid (pH 6-8) 2.83 9.04 -36.24 2 6 1 67 368.457 8 ↓

Analogs

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Popular Name: (3S)-3-acetamido-3-(4-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide (3S)-3-acetamido-3-(4-chlorophen…

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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) 1.63 8.7 -17.76 2 6 0 76 398.894 7 ↓
Mid Mid (pH 6-8) 1.63 9.18 -42.44 3 6 1 77 399.902 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-acetamido-3-(4-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide (3R)-3-acetamido-3-(4-chlorophen…

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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) 1.63 8.75 -19.97 2 6 0 76 398.894 7 ↓
Mid Mid (pH 6-8) 1.63 9.24 -41.93 3 6 1 77 399.902 7 ↓

Analogs

40191725
40191725
40191726
40191726
40191728
40191728
40191837
40191837
40191838
40191838

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Popular Name: 3-(2-ethoxyphenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide 3-(2-ethoxyphenyl)-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) 3.56 9.64 -12.52 1 5 0 56 351.45 8 ↓
Mid Mid (pH 6-8) 3.56 10.12 -31.32 2 5 1 57 352.458 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methyl-propyl]-3-(2,3,4-trimethoxyphenyl)propanamide 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) 3.87 8.73 -14.29 2 7 0 85 411.502 9 ↓
Lo Low (pH 4.5-6) 3.87 8.49 -36.49 3 7 1 87 412.51 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methyl-propyl]-3-(2,3,4-trimethoxyphenyl)propanamide 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) 3.87 7.52 -12.24 2 7 0 85 411.502 9 ↓
Lo Low (pH 4.5-6) 3.87 8.47 -36.21 3 7 1 87 412.51 9 ↓

Analogs

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Popular Name: (2S)-2-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(4-hydroxyphenyl)-N-methyl-propanamide (2S)-2-amino-N-[(6-fluoro-1H-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) 0.99 3.08 -10.25 4 6 0 95 342.374 5 ↓
Mid Mid (pH 6-8) 0.99 3.38 -50.67 5 6 1 97 343.382 5 ↓
Lo Low (pH 4.5-6) 0.99 4.2 -105.16 6 6 2 98 344.39 5 ↓

Parameters Provided:

ring.id = 38346
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 = 38346 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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