UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34991190
34991190
34991916
34991916

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-N-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-cyclohexanamine (1S,3R)-N-[(4-imidazol-1-ylpheny…

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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) 2.74 10.64 -49.07 2 3 1 34 270.4 4 ↓
Mid Mid (pH 6-8) 2.74 11.15 -88.02 3 3 2 36 271.408 4 ↓

Analogs

34991190
34991190
34991916
34991916

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-N-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-cyclohexanamine (1S,3S)-N-[(4-imidazol-1-ylpheny…

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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) 2.74 10.41 -48.86 2 3 1 34 270.4 4 ↓
Mid Mid (pH 6-8) 2.74 10.92 -87.91 3 3 2 36 271.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-N-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-cyclohexanamine (1R,3R)-N-[(4-imidazol-1-ylpheny…

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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) 2.74 10.41 -48.87 2 3 1 34 270.4 4 ↓
Mid Mid (pH 6-8) 2.74 10.92 -87.98 3 3 2 36 271.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-N-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-cyclohexanamine (1R,3S)-N-[(4-imidazol-1-ylpheny…

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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) 2.74 10.64 -49.07 2 3 1 34 270.4 4 ↓
Mid Mid (pH 6-8) 2.74 11.15 -88.08 3 3 2 36 271.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,4R)-N-[(4-imidazol-1-ylphenyl)methyl]-2,4-dimethyl-cyclohexanamine (1S,2R,4R)-N-[(4-imidazol-1-ylph…

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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 11.52 -46.68 2 3 1 34 284.427 4 ↓
Hi High (pH 8-9.5) 2.98 10.68 -5.51 1 3 0 30 283.419 4 ↓
Lo Low (pH 4.5-6) 2.98 12.04 -86.1 3 3 2 36 285.435 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,4S)-N-[(4-imidazol-1-ylphenyl)methyl]-2,4-dimethyl-cyclohexanamine (1S,2R,4S)-N-[(4-imidazol-1-ylph…

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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 11.11 -48.75 2 3 1 34 284.427 4 ↓
Hi High (pH 8-9.5) 2.98 10.07 -5.58 1 3 0 30 283.419 4 ↓
Lo Low (pH 4.5-6) 2.98 11.62 -88.12 3 3 2 36 285.435 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,4R)-N-[(4-imidazol-1-ylphenyl)methyl]-2,4-dimethyl-cyclohexanamine (1R,2R,4R)-N-[(4-imidazol-1-ylph…

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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 11.31 -48.19 2 3 1 34 284.427 4 ↓
Hi High (pH 8-9.5) 2.98 10.33 -5.58 1 3 0 30 283.419 4 ↓
Lo Low (pH 4.5-6) 2.98 11.82 -87.63 3 3 2 36 285.435 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,4S)-N-[(4-imidazol-1-ylphenyl)methyl]-2,4-dimethyl-cyclohexanamine (1R,2R,4S)-N-[(4-imidazol-1-ylph…

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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 11.08 -48.34 2 3 1 34 284.427 4 ↓
Hi High (pH 8-9.5) 2.98 10.1 -5.56 1 3 0 30 283.419 4 ↓
Lo Low (pH 4.5-6) 2.98 11.6 -87.95 3 3 2 36 285.435 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3-methyl-cyclohexanamine (1S,3R)-N-[(1S)-1-(4-imidazol-1-…

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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) 3.30 11.23 -46.69 2 3 1 34 284.427 4 ↓
Mid Mid (pH 6-8) 3.30 11.74 -85.75 3 3 2 36 285.435 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3-methyl-cyclohexanamine (1S,3S)-N-[(1S)-1-(4-imidazol-1-…

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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) 3.30 11 -46.49 2 3 1 34 284.427 4 ↓
Mid Mid (pH 6-8) 3.30 11.51 -85.64 3 3 2 36 285.435 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3-methyl-cyclohexanamine (1R,3R)-N-[(1S)-1-(4-imidazol-1-…

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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) 3.30 10.97 -46.64 2 3 1 34 284.427 4 ↓
Mid Mid (pH 6-8) 3.30 11.48 -85.01 3 3 2 36 285.435 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3-methyl-cyclohexanamine (1R,3S)-N-[(1S)-1-(4-imidazol-1-…

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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) 3.30 11.19 -46.8 2 3 1 34 284.427 4 ↓
Mid Mid (pH 6-8) 3.30 11.7 -85.3 3 3 2 36 285.435 4 ↓

Analogs

37988788
37988788
37988789
37988789

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-[(4-imidazol-1-ylphenyl)methylamino]cyclohexanol (1S,3R)-3-[(4-imidazol-1-ylpheny…

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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) 1.35 6.69 -51.03 3 4 1 55 272.372 4 ↓
Mid Mid (pH 6-8) 1.35 7.2 -89.52 4 4 2 56 273.38 4 ↓

Analogs

37988788
37988788
37988789
37988789

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-[(4-imidazol-1-ylphenyl)methylamino]cyclohexanol (1S,3S)-3-[(4-imidazol-1-ylpheny…

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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) 1.35 6.84 -47.37 3 4 1 55 272.372 4 ↓
Mid Mid (pH 6-8) 1.35 7.36 -86.08 4 4 2 56 273.38 4 ↓

Analogs

37988788
37988788
37988789
37988789

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-3-[(4-imidazol-1-ylphenyl)methylamino]cyclohexanol (1R,3R)-3-[(4-imidazol-1-ylpheny…

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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) 1.35 6.84 -47.4 3 4 1 55 272.372 4 ↓
Mid Mid (pH 6-8) 1.35 7.36 -86.36 4 4 2 56 273.38 4 ↓

Analogs

37988788
37988788
37988789
37988789

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-[(4-imidazol-1-ylphenyl)methylamino]cyclohexanol (1R,3S)-3-[(4-imidazol-1-ylpheny…

Find On: PubMed — Wikipedia — Google

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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) 1.35 6.69 -51.07 3 4 1 55 272.372 4 ↓
Mid Mid (pH 6-8) 1.35 7.2 -89.6 4 4 2 56 273.38 4 ↓

Parameters Provided:

ring.id = 15398
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 = 15398 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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