UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34995012
34995012
34995013
34995013
34995811
34995811

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-methyl-N-[(5-phenyl-2-thienyl)methyl]cyclohexanamine (1S,3R)-3-methyl-N-[(5-phenyl-2-…

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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) 5.23 11.12 -40.11 2 1 1 17 286.464 4 ↓
Hi High (pH 8-9.5) 5.23 9.93 -2.93 1 1 0 12 285.456 4 ↓

Analogs

34995012
34995012
34995013
34995013
34995811
34995811

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-methyl-N-[(5-phenyl-2-thienyl)methyl]cyclohexanamine (1S,3S)-3-methyl-N-[(5-phenyl-2-…

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) 5.23 10.88 -39.93 2 1 1 17 286.464 4 ↓
Hi High (pH 8-9.5) 5.23 9.7 -2.93 1 1 0 12 285.456 4 ↓

Analogs

34995012
34995012
34995013
34995013
34995811
34995811

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-3-methyl-N-[(5-phenyl-2-thienyl)methyl]cyclohexanamine (1R,3R)-3-methyl-N-[(5-phenyl-2-…

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) 5.23 10.88 -40.08 2 1 1 17 286.464 4 ↓
Hi High (pH 8-9.5) 5.23 9.72 -2.92 1 1 0 12 285.456 4 ↓

Analogs

34995811
34995811

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-methyl-N-[(5-phenyl-2-thienyl)methyl]cyclohexanamine (1R,3S)-3-methyl-N-[(5-phenyl-2-…

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) 5.23 11.11 -40.37 2 1 1 17 286.464 4 ↓
Hi High (pH 8-9.5) 5.23 9.95 -2.9 1 1 0 12 285.456 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,4R)-2,4-dimethyl-N-[(5-phenyl-2-thienyl)methyl]cyclohexanamine (1S,2R,4R)-2,4-dimethyl-N-[(5-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) 5.47 11.99 -37.6 2 1 1 17 300.491 4 ↓
Hi High (pH 8-9.5) 5.47 11.17 -2.71 1 1 0 12 299.483 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,4S)-2,4-dimethyl-N-[(5-phenyl-2-thienyl)methyl]cyclohexanamine (1S,2R,4S)-2,4-dimethyl-N-[(5-ph…

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) 5.47 11.59 -39.65 2 1 1 17 300.491 4 ↓
Hi High (pH 8-9.5) 5.47 10.56 -2.75 1 1 0 12 299.483 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,4R)-2,4-dimethyl-N-[(5-phenyl-2-thienyl)methyl]cyclohexanamine (1R,2R,4R)-2,4-dimethyl-N-[(5-ph…

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) 5.47 11.79 -39.26 2 1 1 17 300.491 4 ↓
Hi High (pH 8-9.5) 5.47 10.82 -2.66 1 1 0 12 299.483 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,4S)-2,4-dimethyl-N-[(5-phenyl-2-thienyl)methyl]cyclohexanamine (1R,2R,4S)-2,4-dimethyl-N-[(5-ph…

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) 5.47 11.56 -39.4 2 1 1 17 300.491 4 ↓
Hi High (pH 8-9.5) 5.47 10.59 -2.7 1 1 0 12 299.483 4 ↓

Analogs

37988848
37988848
37988849
37988849

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-[(5-phenyl-2-thienyl)methylamino]cyclohexanol (1S,3R)-3-[(5-phenyl-2-thienyl)m…

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) 3.84 7.17 -42.43 3 2 1 37 288.436 4 ↓
Hi High (pH 8-9.5) 3.84 5.98 -5.57 2 2 0 32 287.428 4 ↓

Analogs

37988848
37988848
37988849
37988849

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-[(5-phenyl-2-thienyl)methylamino]cyclohexanol (1S,3S)-3-[(5-phenyl-2-thienyl)m…

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) 3.84 7.31 -38.86 3 2 1 37 288.436 4 ↓
Hi High (pH 8-9.5) 3.84 6.13 -5.28 2 2 0 32 287.428 4 ↓

Analogs

37988848
37988848
37988849
37988849

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-3-[(5-phenyl-2-thienyl)methylamino]cyclohexanol (1R,3R)-3-[(5-phenyl-2-thienyl)m…

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) 3.84 7.31 -38.58 3 2 1 37 288.436 4 ↓
Hi High (pH 8-9.5) 3.84 6.13 -4.8 2 2 0 32 287.428 4 ↓

Analogs

37988848
37988848
37988849
37988849

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-[(5-phenyl-2-thienyl)methylamino]cyclohexanol (1R,3S)-3-[(5-phenyl-2-thienyl)m…

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) 3.84 7.16 -42.2 3 2 1 37 288.436 4 ↓
Hi High (pH 8-9.5) 3.84 6 -5.88 2 2 0 32 287.428 4 ↓

Parameters Provided:

ring.id = 15402
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 = 15402 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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