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Analogs

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Popular Name: (1R,2R)-2-cyclopentylsulfanylcyclopentanecarbonitrile (1R,2R)-2-cyclopentylsulfanylcyc…

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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) 3.29 8.22 -7.81 0 1 0 24 195.331 2 ↓

Analogs

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Popular Name: (1R,2S)-2-cyclopentylsulfanylcyclopentanecarbonitrile (1R,2S)-2-cyclopentylsulfanylcyc…

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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) 3.29 8.18 -4.59 0 1 0 24 195.331 2 ↓

Analogs

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Popular Name: (1S,2R)-2-cyclopentylsulfanylcyclopentanecarbonitrile (1S,2R)-2-cyclopentylsulfanylcyc…

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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) 3.29 8.41 -4.51 0 1 0 24 195.331 2 ↓

Analogs

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Popular Name: (1S,2S)-2-cyclopentylsulfanylcyclopentanecarbonitrile (1S,2S)-2-cyclopentylsulfanylcyc…

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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) 3.29 7.98 -7.82 0 1 0 24 195.331 2 ↓

Analogs

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Popular Name: [(1R,2R)-2-cyclopentylsulfanylcyclopentyl]methanamine [(1R,2R)-2-cyclopentylsulfanylcy…

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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) 2.31 5.93 -40.28 3 1 1 28 200.371 3 ↓

Analogs

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Popular Name: [(1R,2S)-2-cyclopentylsulfanylcyclopentyl]methanamine [(1R,2S)-2-cyclopentylsulfanylcy…

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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) 2.31 6.02 -43.57 3 1 1 28 200.371 3 ↓

Analogs

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Popular Name: [(1S,2R)-2-cyclopentylsulfanylcyclopentyl]methanamine [(1S,2R)-2-cyclopentylsulfanylcy…

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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) 2.31 6.15 -43.51 3 1 1 28 200.371 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2S)-2-cyclopentylsulfanylcyclopentyl]methanamine [(1S,2S)-2-cyclopentylsulfanylcy…

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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) 2.31 5.69 -40.15 3 1 1 28 200.371 3 ↓

Analogs

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Popular Name: 1-cyclopentylsulfanylcyclopentanecarboxylic 1-cyclopentylsulfanylcyclopentan…

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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) 2.95 8.31 -50.29 0 2 -1 40 213.322 3 ↓

Analogs

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Popular Name: (1R,2R)-2-cyclopentylsulfanylcyclopentanecarboxylic (1R,2R)-2-cyclopentylsulfanylcyc…

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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) 2.75 8.63 -51.19 0 2 -1 40 213.322 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-cyclopentylsulfanylcyclopentanecarboxylic (1R,2S)-2-cyclopentylsulfanylcyc…

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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) 2.75 8.59 -47.08 0 2 -1 40 213.322 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-cyclopentylsulfanylcyclopentanecarboxylic (1S,2R)-2-cyclopentylsulfanylcyc…

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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) 2.75 8.69 -48.12 0 2 -1 40 213.322 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-cyclopentylsulfanylcyclopentanecarboxylic (1S,2S)-2-cyclopentylsulfanylcyc…

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) 2.75 8.39 -51.02 0 2 -1 40 213.322 3 ↓

Parameters Provided:

ring.id = 284390
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 = 284390 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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