UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38584314
38584314

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Popular Name: N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide N-[3-[1-[3-(2-methylphenoxy)prop…

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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) 5.80 13.77 -16.21 1 5 0 56 433.596 10 ↓
Mid Mid (pH 6-8) 5.80 14.07 -39.23 2 5 1 57 434.604 10 ↓

Analogs

40204883
40204883

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Popular Name: N-[3-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide N-[3-[1-[3-(2,5-dimethylphenoxy)…

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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) 6.22 14.44 -16.17 1 5 0 56 447.623 10 ↓
Mid Mid (pH 6-8) 6.22 14.73 -39.25 2 5 1 57 448.631 10 ↓

Analogs

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Popular Name: N-[3-[1-[3-(2-isopropyl-5-methyl-phenoxy)propyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide N-[3-[1-[3-(2-isopropyl-5-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) 6.82 15.71 -16.04 1 5 0 56 475.677 11 ↓
Mid Mid (pH 6-8) 6.82 16 -38.94 2 5 1 57 476.685 11 ↓

Analogs

38584304
38584304

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Popular Name: N-[3-[1-[3-[2-[(1R)-1-methylpropyl]phenoxy]propyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide N-[3-[1-[3-[2-[(1R)-1-methylprop…

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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) 6.73 15.7 -15.89 1 5 0 56 475.677 12 ↓
Mid Mid (pH 6-8) 6.73 15.99 -38.84 2 5 1 57 476.685 12 ↓

Analogs

38584301
38584301

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Popular Name: N-[3-[1-[3-[2-[(1S)-1-methylpropyl]phenoxy]propyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide N-[3-[1-[3-[2-[(1S)-1-methylprop…

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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) 6.73 15.7 -15.9 1 5 0 56 475.677 12 ↓
Mid Mid (pH 6-8) 6.73 15.99 -38.87 2 5 1 57 476.685 12 ↓

Analogs

40204884
40204884

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Popular Name: N-[3-[1-[3-(2-tert-butylphenoxy)propyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide N-[3-[1-[3-(2-tert-butylphenoxy)…

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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) 7.06 15.71 -15.36 1 5 0 56 475.677 11 ↓
Mid Mid (pH 6-8) 7.06 16 -39.22 2 5 1 57 476.685 11 ↓

Analogs

38584286
38584286

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Popular Name: N-[3-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide N-[3-[1-[3-(2,6-dimethylphenoxy)…

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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) 6.20 14.45 -15.52 1 5 0 56 447.623 10 ↓
Mid Mid (pH 6-8) 6.20 14.75 -38.25 2 5 1 57 448.631 10 ↓

Analogs

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Popular Name: N-[3-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide N-[3-[1-[3-(2,4-dimethylphenoxy)…

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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) 6.22 14.44 -16.19 1 5 0 56 447.623 10 ↓
Mid Mid (pH 6-8) 6.22 14.73 -39.14 2 5 1 57 448.631 10 ↓

Analogs

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Popular Name: N-[3-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide N-[3-[1-[3-(2-chlorophenoxy)prop…

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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) 6.03 13.58 -17.98 1 5 0 56 454.014 10 ↓
Mid Mid (pH 6-8) 6.03 14.01 -41.2 2 5 1 57 455.022 10 ↓

Analogs

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Popular Name: N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide N-[3-[1-[3-(2-methoxyphenoxy)pro…

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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) 5.01 12.92 -19.07 1 6 0 65 449.595 11 ↓
Mid Mid (pH 6-8) 5.01 13.21 -40.52 2 6 1 67 450.603 11 ↓

Analogs

13828272
13828272

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Popular Name: N-[3-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide N-[3-[1-[3-(4-methoxyphenoxy)pro…

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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) 5.46 12.3 -17.36 1 6 0 65 449.595 11 ↓

Analogs

40204891
40204891
13828277
13828277

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Popular Name: N-[3-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide N-[3-[1-[3-(4-tert-butylphenoxy)…

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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) 7.11 15.34 -15.84 1 5 0 56 475.677 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide N-[3-[1-[3-(4-chlorophenoxy)prop…

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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) 6.08 13.54 -16.44 1 5 0 56 454.014 10 ↓

Analogs

40204889
40204889

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Popular Name: N-[3-[1-[3-(4-chloro-3-methyl-phenoxy)propyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide N-[3-[1-[3-(4-chloro-3-methyl-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) 6.45 14.12 -16.45 1 5 0 56 468.041 10 ↓

Analogs

38584349
38584349

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Popular Name: N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide N-[3-[1-[3-(3-methylphenoxy)prop…

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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) 5.82 13.69 -16.49 1 5 0 56 433.596 10 ↓

Analogs

38584345
38584345

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Popular Name: N-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide N-[3-[1-[3-(3,5-dimethylphenoxy)…

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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) 6.22 14.35 -16.49 1 5 0 56 447.623 10 ↓

Parameters Provided:

ring.id = 593260
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 = 593260 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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