UCSF
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Analogs

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Popular Name: 2-[(2S,3S,4R,5S)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]thiazole-4-carboxamide 2-[(2S,3S,4R,5S)-3,4-dihydroxy-5…

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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) -1.52 -8.72 -12.76 5 7 0 126 260.271 3 ↓

Analogs

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Popular Name: [2-[(2S)-tetrahydrofuran-2-yl]thiazol-4-yl]methanamine [2-[(2S)-tetrahydrofuran-2-yl]th…

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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) 0.37 0.56 -42.37 3 3 1 50 185.272 2 ↓
Hi High (pH 8-9.5) 0.37 0.16 -5.46 2 3 0 48 184.264 2 ↓

Analogs

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Popular Name: [2-[(2R)-tetrahydrofuran-2-yl]thiazol-4-yl]methanamine [2-[(2R)-tetrahydrofuran-2-yl]th…

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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) 0.37 0.56 -43.69 3 3 1 50 185.272 2 ↓
Hi High (pH 8-9.5) 0.37 0.15 -5.32 2 3 0 48 184.264 2 ↓

Analogs

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Popular Name: (1S)-1-[2-[(2S)-tetrahydrofuran-2-yl]thiazol-4-yl]ethanamine (1S)-1-[2-[(2S)-tetrahydrofuran-…

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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) -0.95 1.29 -45.34 3 3 1 50 199.299 2 ↓
Hi High (pH 8-9.5) -0.95 0.96 -6.04 2 3 0 48 198.291 2 ↓

Analogs

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Popular Name: (1R)-1-[2-[(2S)-tetrahydrofuran-2-yl]thiazol-4-yl]ethanamine (1R)-1-[2-[(2S)-tetrahydrofuran-…

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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) -0.95 1.42 -38.74 3 3 1 50 199.299 2 ↓
Hi High (pH 8-9.5) -0.95 1 -6.24 2 3 0 48 198.291 2 ↓

Analogs

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Popular Name: (1S)-1-[2-[(2R)-tetrahydrofuran-2-yl]thiazol-4-yl]ethanamine (1S)-1-[2-[(2R)-tetrahydrofuran-…

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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) -0.95 1.29 -44.89 3 3 1 50 199.299 2 ↓
Hi High (pH 8-9.5) -0.95 0.96 -6.17 2 3 0 48 198.291 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-[(2R)-tetrahydrofuran-2-yl]thiazol-4-yl]ethanamine (1R)-1-[2-[(2R)-tetrahydrofuran-…

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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) -0.95 1.41 -38.33 3 3 1 50 199.299 2 ↓
Hi High (pH 8-9.5) -0.95 1 -5.97 2 3 0 48 198.291 2 ↓

Parameters Provided:

ring.id = 233270
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 = 233270 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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