UCSF
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Analogs

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Popular Name: 2-chloro-4-cyclopentylsulfanyl-quinazoline 2-chloro-4-cyclopentylsulfanyl-q…

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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) 4.66 8.48 -6.92 0 2 0 26 264.781 2 ↓

Analogs

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Popular Name: (1S,2R)-2-quinazolin-4-ylsulfanylcyclopentanol (1S,2R)-2-quinazolin-4-ylsulfany…

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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) 2.51 5.58 -8.22 1 3 0 46 246.335 2 ↓

Analogs

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Popular Name: (1S,2S)-2-quinazolin-4-ylsulfanylcyclopentanol (1S,2S)-2-quinazolin-4-ylsulfany…

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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) 2.51 5.41 -8.43 1 3 0 46 246.335 2 ↓

Analogs

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Popular Name: (1R,2R)-2-quinazolin-4-ylsulfanylcyclopentanol (1R,2R)-2-quinazolin-4-ylsulfany…

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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) 2.51 5.35 -8.45 1 3 0 46 246.335 2 ↓

Analogs

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Popular Name: (1R,2S)-2-quinazolin-4-ylsulfanylcyclopentanol (1R,2S)-2-quinazolin-4-ylsulfany…

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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) 2.51 5.6 -8.23 1 3 0 46 246.335 2 ↓

Analogs

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Popular Name: (1R,2R)-2-quinazolin-4-ylsulfanylcyclopentanecarbonitrile (1R,2R)-2-quinazolin-4-ylsulfany…

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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) 3.31 8.73 -10.51 0 3 0 50 255.346 2 ↓

Analogs

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Popular Name: (1R,2S)-2-quinazolin-4-ylsulfanylcyclopentanecarbonitrile (1R,2S)-2-quinazolin-4-ylsulfany…

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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) 3.31 8.94 -10.46 0 3 0 50 255.346 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-quinazolin-4-ylsulfanylcyclopentanecarbonitrile (1S,2R)-2-quinazolin-4-ylsulfany…

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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) 3.31 8.94 -10.45 0 3 0 50 255.346 2 ↓

Analogs

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Popular Name: (1S,2S)-2-quinazolin-4-ylsulfanylcyclopentanecarbonitrile (1S,2S)-2-quinazolin-4-ylsulfany…

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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) 3.31 8.81 -10.55 0 3 0 50 255.346 2 ↓

Analogs

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Popular Name: [(1R,2R)-2-quinazolin-4-ylsulfanylcyclopentyl]methanamine [(1R,2R)-2-quinazolin-4-ylsulfan…

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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) 2.33 6.45 -53.36 3 3 1 53 260.386 3 ↓

Analogs

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Popular Name: [(1R,2S)-2-quinazolin-4-ylsulfanylcyclopentyl]methanamine [(1R,2S)-2-quinazolin-4-ylsulfan…

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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) 2.33 6.63 -52.14 3 3 1 53 260.386 3 ↓

Analogs

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Popular Name: [(1S,2R)-2-quinazolin-4-ylsulfanylcyclopentyl]methanamine [(1S,2R)-2-quinazolin-4-ylsulfan…

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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) 2.33 6.67 -52.03 3 3 1 53 260.386 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2S)-2-quinazolin-4-ylsulfanylcyclopentyl]methanamine [(1S,2S)-2-quinazolin-4-ylsulfan…

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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) 2.33 6.45 -53.35 3 3 1 53 260.386 3 ↓

Parameters Provided:

ring.id = 284452
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 = 284452 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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