UCSF
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Analogs

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Popular Name: (2R,4S)-4-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-2-methyl-tetrahydropyran-4-amine (2R,4S)-4-(5,6-dihydro-4H-cyclop…

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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) 1.76 3.36 -45.51 3 3 1 50 239.364 1 ↓
Mid Mid (pH 6-8) 1.76 3.14 -6.45 2 3 0 48 238.356 1 ↓

Analogs

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Popular Name: (2S,4S)-4-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-2-methyl-tetrahydropyran-4-amine (2S,4S)-4-(5,6-dihydro-4H-cyclop…

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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) 1.76 3.43 -42.29 3 3 1 50 239.364 1 ↓
Mid Mid (pH 6-8) 1.76 3.41 -6.59 2 3 0 48 238.356 1 ↓

Analogs

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Popular Name: (2R,4R)-4-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-2-methyl-tetrahydropyran-4-amine (2R,4R)-4-(5,6-dihydro-4H-cyclop…

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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) 1.76 3.43 -42.31 3 3 1 50 239.364 1 ↓
Mid Mid (pH 6-8) 1.76 3.42 -6.52 2 3 0 48 238.356 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-2-methyl-tetrahydropyran-4-amine (2S,4R)-4-(5,6-dihydro-4H-cyclop…

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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) 1.76 3.36 -45.5 3 3 1 50 239.364 1 ↓
Mid Mid (pH 6-8) 1.76 3.09 -6.95 2 3 0 48 238.356 1 ↓

Analogs

41192093
41192093

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Popular Name: 4-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-N-propyl-tetrahydropyran-4-amine 4-(5,6-dihydro-4H-cyclopenta[d]t…

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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) 2.65 5.61 -33.13 2 3 1 39 267.418 4 ↓
Mid Mid (pH 6-8) 2.65 4.71 -5.94 1 3 0 34 266.41 4 ↓

Analogs

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Popular Name: 4-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-N-isopropyl-tetrahydropyran-4-amine 4-(5,6-dihydro-4H-cyclopenta[d]t…

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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) 2.44 5.33 -31.67 2 3 1 39 267.418 3 ↓
Mid Mid (pH 6-8) 2.44 4 -6.72 1 3 0 34 266.41 3 ↓

Parameters Provided:

ring.id = 491633
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 = 491633 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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