UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-chloro-5-[[(3S)-3-cyclopropylbutanoyl]amino]-N-methyl-benzamide 2-chloro-5-[[(3S)-3-cyclopropylb…

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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) 2.80 5.83 -13.89 2 4 0 58 294.782 5 ↓

Analogs

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Popular Name: 2-chloro-5-[[(3R)-3-cyclopropylbutanoyl]amino]-N-methyl-benzamide 2-chloro-5-[[(3R)-3-cyclopropylb…

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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) 2.80 5.81 -13.61 2 4 0 58 294.782 5 ↓

Analogs

37026786
37026786
37026787
37026787

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Popular Name: 4-[[(3R)-3-cyclopropylbutanoyl]amino]-3-methyl-benzamide 4-[[(3R)-3-cyclopropylbutanoyl]a…

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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) 2.20 4.7 -11.58 3 4 0 72 260.337 5 ↓

Analogs

37026786
37026786
37026787
37026787

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3S)-3-cyclopropylbutanoyl]amino]-3-methyl-benzamide 4-[[(3S)-3-cyclopropylbutanoyl]a…

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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) 2.20 4.71 -11.83 3 4 0 72 260.337 5 ↓

Analogs

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Popular Name: (3S)-3-cyclopropyl-N-[3-(methylsulfamoyl)phenyl]butanamide (3S)-3-cyclopropyl-N-[3-(methyls…

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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) 2.05 3.21 -13.24 2 5 0 75 296.392 6 ↓

Analogs

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Popular Name: (3R)-3-cyclopropyl-N-[3-(methylsulfamoyl)phenyl]butanamide (3R)-3-cyclopropyl-N-[3-(methyls…

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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) 2.05 3.2 -12.96 2 5 0 75 296.392 6 ↓

Analogs

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Popular Name: (3S)-3-cyclopropyl-N-[4-(ureidomethyl)phenyl]butanamide (3S)-3-cyclopropyl-N-[4-(ureidom…

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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) 1.84 3.25 -12.97 4 5 0 84 275.352 6 ↓

Analogs

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Popular Name: (3R)-3-cyclopropyl-N-[4-(ureidomethyl)phenyl]butanamide (3R)-3-cyclopropyl-N-[4-(ureidom…

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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) 1.84 3.25 -13.32 4 5 0 84 275.352 6 ↓

Analogs

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Popular Name: (3S)-N-[4-[acetyl(methyl)amino]phenyl]-3-cyclopropyl-butanamide (3S)-N-[4-[acetyl(methyl)amino]p…

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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) 2.47 7.3 -16.85 1 4 0 49 274.364 5 ↓

Analogs

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Popular Name: (3R)-N-[4-[acetyl(methyl)amino]phenyl]-3-cyclopropyl-butanamide (3R)-N-[4-[acetyl(methyl)amino]p…

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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) 2.47 7.29 -12.31 1 4 0 49 274.364 5 ↓

Analogs

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Popular Name: 3-[[(3R)-3-cyclopropylbutanoyl]amino]-4-methyl-benzamide 3-[[(3R)-3-cyclopropylbutanoyl]a…

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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) 2.20 4.69 -17.76 3 4 0 72 260.337 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(3S)-3-cyclopropylbutanoyl]amino]-4-methyl-benzamide 3-[[(3S)-3-cyclopropylbutanoyl]a…

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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) 2.20 4.69 -18.07 3 4 0 72 260.337 5 ↓

Analogs

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Popular Name: (3S)-3-cyclopropyl-N-[4-(methylsulfonylmethyl)phenyl]butanamide (3S)-3-cyclopropyl-N-[4-(methyls…

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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) 2.37 5.26 -19.79 1 4 0 63 295.404 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-cyclopropyl-N-[4-(methylsulfonylmethyl)phenyl]butanamide (3R)-3-cyclopropyl-N-[4-(methyls…

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Activity (Go SEA)

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) 2.37 5.25 -18.24 1 4 0 63 295.404 6 ↓

Parameters Provided:

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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 = 292237 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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