UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

31003141
31003141

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Popular Name: (3R)-N-(2-benzamidoethyl)tetrahydrofuran-3-carboxamide (3R)-N-(2-benzamidoethyl)tetrahy…

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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) 0.72 2.08 -13.76 2 5 0 67 262.309 5 ↓

Analogs

31003141
31003141

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Popular Name: (3S)-N-(2-benzamidoethyl)tetrahydrofuran-3-carboxamide (3S)-N-(2-benzamidoethyl)tetrahy…

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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) 0.72 2.09 -13.18 2 5 0 67 262.309 5 ↓

Analogs

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Popular Name: (3R)-N-[2-[(2-chlorobenzoyl)amino]ethyl]tetrahydrofuran-3-carboxamide (3R)-N-[2-[(2-chlorobenzoyl)amin…

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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) 1.35 2.59 -14.93 2 5 0 67 296.754 5 ↓

Analogs

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Popular Name: (3S)-N-[2-[(2-chlorobenzoyl)amino]ethyl]tetrahydrofuran-3-carboxamide (3S)-N-[2-[(2-chlorobenzoyl)amin…

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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) 1.35 2.61 -14.34 2 5 0 67 296.754 5 ↓

Analogs

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Popular Name: (3R)-N-[2-[(3-methylbenzoyl)amino]ethyl]tetrahydrofuran-3-carboxamide (3R)-N-[2-[(3-methylbenzoyl)amin…

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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) 1.15 2.74 -13.81 2 5 0 67 276.336 5 ↓

Analogs

31003141
31003141

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Popular Name: (3S)-N-[2-[(3-methylbenzoyl)amino]ethyl]tetrahydrofuran-3-carboxamide (3S)-N-[2-[(3-methylbenzoyl)amin…

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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) 1.15 2.76 -13.26 2 5 0 67 276.336 5 ↓

Analogs

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Popular Name: (3R)-N-[2-[(2-fluorobenzoyl)amino]ethyl]tetrahydrofuran-3-carboxamide (3R)-N-[2-[(2-fluorobenzoyl)amin…

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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) 0.84 2.15 -17.18 2 5 0 67 280.299 5 ↓

Analogs

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Popular Name: (3S)-N-[2-[(2-fluorobenzoyl)amino]ethyl]tetrahydrofuran-3-carboxamide (3S)-N-[2-[(2-fluorobenzoyl)amin…

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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) 0.84 2.17 -16.64 2 5 0 67 280.299 5 ↓

Analogs

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Popular Name: (3R)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]tetrahydrofuran-3-carboxamide (3R)-N-[2-[(2-hydroxybenzoyl)ami…

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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) 1.21 0.63 -15.53 3 6 0 88 278.308 5 ↓
Hi High (pH 8-9.5) 1.21 1.63 -57.78 2 6 -1 90 277.3 5 ↓

Analogs

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Popular Name: (3S)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]tetrahydrofuran-3-carboxamide (3S)-N-[2-[(2-hydroxybenzoyl)ami…

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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) 1.21 0.64 -15.1 3 6 0 88 278.308 5 ↓
Hi High (pH 8-9.5) 1.21 1.64 -56.99 2 6 -1 90 277.3 5 ↓

Analogs

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Popular Name: (3R)-N-[2-[(4-bromobenzoyl)amino]ethyl]tetrahydrofuran-3-carboxamide (3R)-N-[2-[(4-bromobenzoyl)amino…

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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) 1.53 2.7 -12.96 2 5 0 67 341.205 5 ↓

Analogs

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Popular Name: (3S)-N-[2-[(4-bromobenzoyl)amino]ethyl]tetrahydrofuran-3-carboxamide (3S)-N-[2-[(4-bromobenzoyl)amino…

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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) 1.53 2.71 -12.42 2 5 0 67 341.205 5 ↓

Parameters Provided:

ring.id = 334713
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 = 334713 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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