UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2,2,2-trifluoro-1-[1-[(1R,2S)-2-hydroxycyclopentyl]triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-[(1R,2S)-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) 0.79 1.52 -8.55 1 5 0 68 249.192 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2,2-trifluoro-1-[1-[(1S,2S)-2-hydroxycyclopentyl]triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-[(1S,2S)-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) 0.79 1.08 -8.31 1 5 0 68 249.192 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2,2-trifluoro-1-[1-[(1R,2R)-2-hydroxycyclopentyl]triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-[(1R,2R)-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) 0.79 1.17 -8.63 1 5 0 68 249.192 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2,2-trifluoro-1-[1-[(1S,2R)-2-hydroxycyclopentyl]triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-[(1S,2R)-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) 0.79 1.39 -7.83 1 5 0 68 249.192 3 ↓

Analogs

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Popular Name: 1-(1-cyclopentyltriazol-4-yl)-2,2,2-trifluoro-ethanone 1-(1-cyclopentyltriazol-4-yl)-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) 1.94 4.51 -6.33 0 4 0 48 233.193 3 ↓

Analogs

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Popular Name: (1S,2R)-2-[4-(1-amino-1-methyl-ethyl)triazol-1-yl]cyclopentanol (1S,2R)-2-[4-(1-amino-1-methyl-e…

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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) 0.53 -0.1 -49.99 4 5 1 79 211.289 2 ↓
Hi High (pH 8-9.5) 0.53 -0.36 -9.5 3 5 0 77 210.281 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[4-(1-amino-1-methyl-ethyl)triazol-1-yl]cyclopentanol (1S,2S)-2-[4-(1-amino-1-methyl-e…

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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) 0.53 -0.56 -54.15 4 5 1 79 211.289 2 ↓
Hi High (pH 8-9.5) 0.53 -0.82 -9.46 3 5 0 77 210.281 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[4-(1-amino-1-methyl-ethyl)triazol-1-yl]cyclopentanol (1R,2R)-2-[4-(1-amino-1-methyl-e…

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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) 0.53 -0.49 -54.65 4 5 1 79 211.289 2 ↓
Hi High (pH 8-9.5) 0.53 -0.75 -9.53 3 5 0 77 210.281 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[4-(1-amino-1-methyl-ethyl)triazol-1-yl]cyclopentanol (1R,2S)-2-[4-(1-amino-1-methyl-e…

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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) 0.53 -0.24 -48.55 4 5 1 79 211.289 2 ↓
Hi High (pH 8-9.5) 0.53 -0.5 -9.07 3 5 0 77 210.281 2 ↓

Analogs

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Popular Name: 2-(1-cyclopentyltriazol-4-yl)propan-2-amine 2-(1-cyclopentyltriazol-4-yl)pro…

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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) 1.68 2.87 -49.99 3 4 1 58 195.29 2 ↓
Hi High (pH 8-9.5) 1.68 2.61 -6.95 2 4 0 57 194.282 2 ↓

Parameters Provided:

ring.id = 103952
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 = 103952 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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