UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1S,2S)-2-[[cyclohexylmethyl(methyl)amino]methyl]cyclohexanol (1S,2S)-2-[[cyclohexylmethyl(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) 3.77 7.68 -34.61 2 2 1 25 240.411 4 ↓

Analogs

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Popular Name: (1S,2R)-2-[[cyclohexylmethyl(methyl)amino]methyl]cyclohexanol (1S,2R)-2-[[cyclohexylmethyl(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) 3.77 7.54 -33.33 2 2 1 25 240.411 4 ↓

Analogs

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Popular Name: (1S,2S,4R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-4-methyl-cyclohexanol (1S,2S,4R)-2-[[cyclohexylmethyl(…

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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) 3.78 8.26 -34.39 2 2 1 25 254.438 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-4-methyl-cyclohexanol (1S,2S,4S)-2-[[cyclohexylmethyl(…

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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) 3.78 8.06 -34.99 2 2 1 25 254.438 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-4-methyl-cyclohexanol (1R,2S,4R)-2-[[cyclohexylmethyl(…

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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) 3.78 8.73 -30.62 2 2 1 25 254.438 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-4-methyl-cyclohexanol (1R,2S,4S)-2-[[cyclohexylmethyl(…

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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) 3.78 8.5 -30.61 2 2 1 25 254.438 4 ↓

Analogs

42570189
42570189
42570191
42570191
42589567
42589567
42589569
42589569

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Popular Name: 1-[[[(1S)-1-cyclohexylpropyl]amino]methyl]cyclohexanol 1-[[[(1S)-1-cyclohexylpropyl]ami…

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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) 4.60 7.12 -33.31 3 2 1 37 254.438 5 ↓

Analogs

42570189
42570189
42570191
42570191
42589567
42589567
42589569
42589569

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Popular Name: 1-[[[(1R)-1-cyclohexylpropyl]amino]methyl]cyclohexanol 1-[[[(1R)-1-cyclohexylpropyl]ami…

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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) 4.60 7.09 -33.37 3 2 1 37 254.438 5 ↓

Analogs

43968215
43968215
43968216
43968216
43968217
43968217
43968218
43968218
43968271
43968271

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[[(1S)-1-cyclohexylethyl]amino]methyl]-N,N-dimethyl-cyclohexanamine 1-[[[(1S)-1-cyclohexylethyl]amin…

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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) 4.72 9.84 -114.11 3 2 2 21 268.489 5 ↓
Mid Mid (pH 6-8) 4.72 7.78 -33.61 2 2 1 20 267.481 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[[(1R)-1-cyclohexylethyl]amino]methyl]-N,N-dimethyl-cyclohexanamine 1-[[[(1R)-1-cyclohexylethyl]amin…

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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) 4.72 9.98 -112.74 3 2 2 21 268.489 5 ↓
Mid Mid (pH 6-8) 4.72 7.86 -33.31 2 2 1 20 267.481 5 ↓

Parameters Provided:

ring.id = 114782
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 = 114782 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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