UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4929296
4929296
4929333
4929333
4929355
4929355

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Popular Name: dimethyl-N-sec-butyl-BLAHcarboxamide dimethyl-N-sec-butyl-BLAHcarboxa…

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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) 5.14 9.88 -13.61 1 3 0 42 338.476 3 ↓

Analogs

4929296
4929296
4929355
4929355
4148996
4148996

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Popular Name: dimethyl-N-sec-butyl-BLAHcarboxamide dimethyl-N-sec-butyl-BLAHcarboxa…

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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) 5.14 9.88 -13.61 1 3 0 42 338.476 3 ↓

Analogs

8813176
8813176
4929355
4929355

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Popular Name: N-[2-(4-chlorophenyl)ethyl]-dimethyl-BLAHcarboxamide N-[2-(4-chlorophenyl)ethyl]-dime…

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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) 6.42 12.35 -15.86 1 3 0 42 420.965 4 ↓

Analogs

4929296
4929296
4929355
4929355
4930157
4930157

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Popular Name: N-isopropyl-dimethyl-BLAHcarboxamide N-isopropyl-dimethyl-BLAHcarboxa…

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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) 4.61 8.89 -13.71 1 3 0 42 324.449 2 ↓

Analogs

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Popular Name: dimethyl-N-(tetrahydrofuran-2-ylmethyl)BLAHcarboxamide dimethyl-N-(tetrahydrofuran-2-yl…

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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) 4.31 8.36 -13.54 1 4 0 51 366.486 3 ↓

Analogs

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Popular Name: dimethyl-N-(tetrahydrofuran-2-ylmethyl)BLAHcarboxamide dimethyl-N-(tetrahydrofuran-2-yl…

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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) 4.31 8.38 -13.55 1 4 0 51 366.486 3 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-dimethyl-BLAHcarboxamide N-(2-methoxyethyl)-dimethyl-BLAH…

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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) 3.92 7.14 -13.79 1 4 0 51 340.448 4 ↓

Analogs

4148995
4148995

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Popular Name: N-trimethylBLAHcarboxamide N-trimethylBLAHcarboxamide

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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) 3.93 7.22 -14.3 1 3 0 42 296.395 1 ↓

Analogs

4929296
4929296
4930157
4930157
4930179
4930179

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Popular Name: N-[(4-ethylphenyl)methyl]-dimethyl-BLAHcarboxamide N-[(4-ethylphenyl)methyl]-dimeth…

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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) 6.25 12.55 -12.52 1 3 0 42 400.547 4 ↓

Analogs

4929333
4929333
4929360
4929360

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Popular Name: (dimethylBLAHyl)-pyrrolidin-1-yl-methanone (dimethylBLAHyl)-pyrrolidin-1-yl…

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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) 4.11 9.93 -15.12 0 3 0 33 336.46 1 ↓

Analogs

4929333
4929333
4929360
4929360
4929528
4929528
4930399
4930399

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Popular Name: (dimethylBLAHyl)-(1-piperidyl)methanone (dimethylBLAHyl)-(1-piperidyl)me…

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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) 4.62 10.85 -10.29 0 3 0 33 350.487 1 ↓

Analogs

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Popular Name: USAN) USAN)

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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) 4.66 9.24 -8.81 0 3 0 19 323.465 1 ↓

Analogs

34858602
34858602

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Popular Name: ethyl ethyl

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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) 5.38 11.44 -17.13 1 6 0 72 451.592 5 ↓

Parameters Provided:

ring.id = 3476
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 = 3476 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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