UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8486711
8486711
4085106
4085106
4085107
4085107

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Popular Name: N-(3-methoxypropyl)-oxo-BLAHcarboxamide N-(3-methoxypropyl)-oxo-BLAHcarb…

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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) 2.52 -3.05 -20.62 2 6 0 74 389.455 5 ↓

Analogs

8486708
8486708
4085106
4085106

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Popular Name: N-(3-methoxypropyl)-oxo-BLAHcarboxamide N-(3-methoxypropyl)-oxo-BLAHcarb…

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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) 2.52 -3.1 -16.08 2 6 0 74 389.455 5 ↓

Analogs

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Popular Name: keto(dimethoxy)BLAHcarboxylic-acid-ethyl-ester keto(dimethoxy)BLAHcarboxylic-ac…

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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) 3.22 0.82 -22.69 1 7 0 80 406.438 5 ↓

Analogs

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Popular Name: keto(dimethoxy)BLAHcarboxylic-acid-ethyl-ester keto(dimethoxy)BLAHcarboxylic-ac…

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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) 3.22 0.86 -16.51 1 7 0 80 406.438 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: keto(dimethoxy)BLAHcarboxylic-acid-ethyl-ester keto(dimethoxy)BLAHcarboxylic-ac…

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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) 3.22 0.86 -16.49 1 7 0 80 406.438 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: keto(dimethoxy)BLAHcarboxylic-acid-ethyl-ester keto(dimethoxy)BLAHcarboxylic-ac…

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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) 3.22 0.83 -22.14 1 7 0 80 406.438 5 ↓

Analogs

38570081
38570081
38570100
38570100
38570102
38570102

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Popular Name: (2S)-2-[[(2S)-4-methyl-2-[(oxoBLAHcarbonyl)amino]pentanoyl]amino]propanoic (2S)-2-[[(2S)-4-methyl-2-[(oxoBL…

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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) 1.13 9.68 -49.86 3 9 -1 134 501.563 7 ↓

Analogs

38570100
38570100
38570102
38570102
38570079
38570079

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Popular Name: (2S)-2-[[(2S)-4-methyl-2-[(oxoBLAHcarbonyl)amino]pentanoyl]amino]propanoic (2S)-2-[[(2S)-4-methyl-2-[(oxoBL…

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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) 1.13 10.55 -54.01 3 9 -1 134 501.563 7 ↓

Analogs

38570102
38570102
38570079
38570079
38570081
38570081

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Popular Name: (2R)-2-[[(2S)-4-methyl-2-[(oxoBLAHcarbonyl)amino]pentanoyl]amino]propanoic (2R)-2-[[(2S)-4-methyl-2-[(oxoBL…

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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) 1.13 9.7 -50.15 3 9 -1 134 501.563 7 ↓

Analogs

38570079
38570079
38570081
38570081

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Popular Name: (2R)-2-[[(2S)-4-methyl-2-[(oxoBLAHcarbonyl)amino]pentanoyl]amino]propanoic (2R)-2-[[(2S)-4-methyl-2-[(oxoBL…

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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) 1.13 10.58 -55.83 3 9 -1 134 501.563 7 ↓

Analogs

38570395
38570395
38570445
38570445
38570448
38570448

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Popular Name: (2R)-2-[[(2S)-3-methyl-2-[(oxoBLAHcarbonyl)amino]butanoyl]amino]propanoic (2R)-2-[[(2S)-3-methyl-2-[(oxoBL…

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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) 0.60 9.27 -50.92 3 9 -1 134 487.536 6 ↓

Analogs

38570445
38570445
38570448
38570448
38570394
38570394

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Popular Name: (2R)-2-[[(2S)-3-methyl-2-[(oxoBLAHcarbonyl)amino]butanoyl]amino]propanoic (2R)-2-[[(2S)-3-methyl-2-[(oxoBL…

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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) 0.60 10.08 -57.51 3 9 -1 134 487.536 6 ↓

Analogs

38570448
38570448
38570394
38570394
38570395
38570395

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Popular Name: (2S)-2-[[(2S)-3-methyl-2-[(oxoBLAHcarbonyl)amino]butanoyl]amino]propanoic (2S)-2-[[(2S)-3-methyl-2-[(oxoBL…

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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) 0.60 9.21 -50.44 3 9 -1 134 487.536 6 ↓

Analogs

38570394
38570394
38570445
38570445

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(2S)-3-methyl-2-[(oxoBLAHcarbonyl)amino]butanoyl]amino]propanoic (2S)-2-[[(2S)-3-methyl-2-[(oxoBL…

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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) 0.60 10.04 -54.93 3 9 -1 134 487.536 6 ↓

Analogs

4086500
4086500
4086507
4086507

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Popular Name: N-[(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl]-oxo-BLAHcarboxamide N-[(1S)-2-(isobutylamino)-1-meth…

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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) 2.82 8.5 -16.45 3 7 0 94 444.535 5 ↓

Analogs

4086214
4086214
4086215
4086215

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Popular Name: N-[(1S)-2-(3-isopropoxypropylamino)-1-methyl-2-oxo-ethyl]-oxo-BLAHcarboxamide N-[(1S)-2-(3-isopropoxypropylami…

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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) 2.69 9.55 -20.44 3 8 0 104 488.588 8 ↓

Analogs

12887091
12887091
12887670
12887670

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Popular Name: N-[(1S)-2-(isopentylamino)-1-methyl-2-oxo-ethyl]-oxo-BLAHcarboxamide N-[(1S)-2-(isopentylamino)-1-met…

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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) 3.35 10.06 -19.54 3 7 0 94 458.562 6 ↓

Parameters Provided:

ring.id = 5946
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 = 5946 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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