UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41195282
41195282
41195484
41195484
41195488
41195488
41195490
41195490
71163034
71163034

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Popular Name: N-[(1R)-1-cyclohexyl-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)ethyl]propan-1-amine N-[(1R)-1-cyclohexyl-1-(5,6-dihy…

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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) 4.92 9.54 -37.07 2 2 1 29 293.5 5 ↓
Hi High (pH 8-9.5) 4.92 8.3 -3.73 1 2 0 25 292.492 5 ↓
Lo Low (pH 4.5-6) 4.92 9.37 -94.69 3 2 2 31 294.508 5 ↓

Analogs

41195484
41195484
41195488
41195488
41195490
41195490
71163034
71163034
71163035
71163035

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Popular Name: N-[(1S)-1-cyclohexyl-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)ethyl]propan-1-amine N-[(1S)-1-cyclohexyl-1-(5,6-dihy…

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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) 4.92 9.32 -37.12 2 2 1 29 293.5 5 ↓
Hi High (pH 8-9.5) 4.92 8.2 -5.45 1 2 0 25 292.492 5 ↓
Lo Low (pH 4.5-6) 4.92 9.51 -94.36 3 2 2 31 294.508 5 ↓

Analogs

41195505
41195505
41191824
41191824
41191827
41191827

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Popular Name: N-[(R)-cyclohexyl(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)methyl]propan-1-amine N-[(R)-cyclohexyl(5,6-dihydro-4H…

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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) 4.48 9.06 -36.19 2 2 1 29 279.473 5 ↓
Hi High (pH 8-9.5) 4.48 8.09 -3.84 1 2 0 25 278.465 5 ↓

Analogs

41191824
41191824
41191827
41191827
41195503
41195503

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Popular Name: N-[(S)-cyclohexyl(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)methyl]propan-1-amine N-[(S)-cyclohexyl(5,6-dihydro-4H…

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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) 4.48 8.89 -35.4 2 2 1 29 279.473 5 ↓
Hi High (pH 8-9.5) 4.48 8.32 -5.23 1 2 0 25 278.465 5 ↓

Analogs

41197692
41197692

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

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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) 4.27 8.89 -34.01 2 2 1 29 279.473 4 ↓
Hi High (pH 8-9.5) 4.27 7.88 -4.1 1 2 0 25 278.465 4 ↓

Analogs

41197690
41197690

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

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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) 4.27 8.89 -34.1 2 2 1 29 279.473 4 ↓
Hi High (pH 8-9.5) 4.27 7.95 -5.35 1 2 0 25 278.465 4 ↓

Analogs

41197802
41197802
71163066
71163066
71163067
71163067
71163068
71163068
41197671
41197671

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Popular Name: N-[(1R)-1-cyclohexyl-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)ethyl]propan-2-amine N-[(1R)-1-cyclohexyl-1-(5,6-dihy…

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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) 4.72 8.96 -35.89 2 2 1 29 293.5 4 ↓
Hi High (pH 8-9.5) 4.72 7.82 -3.94 1 2 0 25 292.492 4 ↓

Analogs

71163066
71163066
71163067
71163067
71163068
71163068
41197671
41197671
41197673
41197673

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclohexyl-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)ethyl]propan-2-amine N-[(1S)-1-cyclohexyl-1-(5,6-dihy…

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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) 4.72 8.7 -34.39 2 2 1 29 293.5 4 ↓
Hi High (pH 8-9.5) 4.72 7.87 -3.86 1 2 0 25 292.492 4 ↓

Parameters Provided:

ring.id = 520964
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 = 520964 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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