UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1S,3R)-3-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclohexanamine (1S,3R)-3-methyl-N-[(2-pyrrolidi…

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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 10.83 -39.35 2 2 1 20 273.444 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclohexanamine (1S,3S)-3-methyl-N-[(2-pyrrolidi…

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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 10.6 -39.12 2 2 1 20 273.444 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-3-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclohexanamine (1R,3R)-3-methyl-N-[(2-pyrrolidi…

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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 10.44 -35.04 2 2 1 20 273.444 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclohexanamine (1R,3S)-3-methyl-N-[(2-pyrrolidi…

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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 10.66 -35.29 2 2 1 20 273.444 4 ↓

Analogs

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

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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) 4.11 11.71 -35.9 2 2 1 20 287.471 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 4.11 11.3 -38.72 2 2 1 20 287.471 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 4.11 11.18 -33.96 2 2 1 20 287.471 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 4.11 10.95 -34.08 2 2 1 20 287.471 4 ↓

Analogs

37988732
37988732
37988733
37988733

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-[(2-pyrrolidin-1-ylphenyl)methylamino]cyclohexanol (1S,3R)-3-[(2-pyrrolidin-1-ylphe…

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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) 2.47 6.71 -37.14 3 3 1 40 275.416 4 ↓

Analogs

37988732
37988732
37988733
37988733

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-[(2-pyrrolidin-1-ylphenyl)methylamino]cyclohexanol (1S,3S)-3-[(2-pyrrolidin-1-ylphe…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.47 7.03 -38.08 3 3 1 40 275.416 4 ↓

Analogs

37988732
37988732
37988733
37988733

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-3-[(2-pyrrolidin-1-ylphenyl)methylamino]cyclohexanol (1R,3R)-3-[(2-pyrrolidin-1-ylphe…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.47 6.86 -33.81 3 3 1 40 275.416 4 ↓

Analogs

37988732
37988732
37988733
37988733

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-[(2-pyrrolidin-1-ylphenyl)methylamino]cyclohexanol (1R,3S)-3-[(2-pyrrolidin-1-ylphe…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.47 6.88 -40.96 3 3 1 40 275.416 4 ↓

Parameters Provided:

ring.id = 15392
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 = 15392 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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