UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

10512674
10512674

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Popular Name: 3,5-difluoro-N-methyl-N-tetralin-1-yl-benzenesulfonamide 3,5-difluoro-N-methyl-N-tetralin…

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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) 3.87 -0.78 -7.88 0 3 0 37 337.391 3 ↓

Analogs

10512671
10512671

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Popular Name: 3,5-difluoro-N-methyl-N-tetralin-1-yl-benzenesulfonamide 3,5-difluoro-N-methyl-N-tetralin…

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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) 3.87 -0.89 -6.73 0 3 0 37 337.391 3 ↓

Analogs

33811704
33811704

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Popular Name: N,2-dimethyl-5-nitro-N-[(1R)-tetralin-1-yl]benzenesulfonamide N,2-dimethyl-5-nitro-N-[(1R)-tet…

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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) 3.95 9.35 -14.59 0 6 0 83 360.435 4 ↓

Analogs

33811704
33811704

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Popular Name: N,2-dimethyl-5-nitro-N-[(1S)-tetralin-1-yl]benzenesulfonamide N,2-dimethyl-5-nitro-N-[(1S)-tet…

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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) 3.95 9.3 -14.48 0 6 0 83 360.435 4 ↓

Analogs

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Popular Name: N-methyl-2-nitro-N-[(1R)-tetralin-1-yl]benzenesulfonamide N-methyl-2-nitro-N-[(1R)-tetrali…

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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) 3.53 9.91 -25.19 0 6 0 83 346.408 4 ↓

Analogs

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Popular Name: N-methyl-2-nitro-N-[(1S)-tetralin-1-yl]benzenesulfonamide N-methyl-2-nitro-N-[(1S)-tetrali…

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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) 3.53 9.87 -24.15 0 6 0 83 346.408 4 ↓

Analogs

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Popular Name: 4-acetyl-N-methyl-N-[(1R)-tetralin-1-yl]benzenesulfonamide 4-acetyl-N-methyl-N-[(1R)-tetral…

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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) 3.51 8.6 -13.08 0 4 0 54 343.448 4 ↓

Analogs

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Popular Name: 4-acetyl-N-methyl-N-[(1S)-tetralin-1-yl]benzenesulfonamide 4-acetyl-N-methyl-N-[(1S)-tetral…

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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) 3.51 8.34 -10.87 0 4 0 54 343.448 4 ↓

Analogs

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Popular Name: N,N-diethyl-N'-methyl-N'-[(1R)-tetralin-1-yl]benzene-1,4-disulfonamide N,N-diethyl-N'-methyl-N'-[(1R)-t…

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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) 3.68 7.91 -13.37 0 6 0 75 436.599 7 ↓

Analogs

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Popular Name: N,N-diethyl-N'-methyl-N'-[(1S)-tetralin-1-yl]benzene-1,4-disulfonamide N,N-diethyl-N'-methyl-N'-[(1S)-t…

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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) 3.68 7.71 -12.37 0 6 0 75 436.599 7 ↓

Analogs

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Popular Name: N-[4-methoxy-3-[methyl-[(1R)-tetralin-1-yl]sulfamoyl]phenyl]acetamide N-[4-methoxy-3-[methyl-[(1R)-tet…

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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 6.99 -15.07 1 6 0 76 388.489 5 ↓

Analogs

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Popular Name: N-[4-methoxy-3-[methyl-[(1S)-tetralin-1-yl]sulfamoyl]phenyl]acetamide N-[4-methoxy-3-[methyl-[(1S)-tet…

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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 6.92 -22.98 1 6 0 76 388.489 5 ↓

Analogs

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Popular Name: dimethyl dimethyl

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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) 3.88 9.53 -12.72 0 7 0 90 417.483 7 ↓

Analogs

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Popular Name: dimethyl dimethyl

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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) 3.88 9.24 -12.01 0 7 0 90 417.483 7 ↓

Analogs

23230040
23230040
23230038
23230038
8167229
8167229

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Popular Name: 2,6-difluoro-N-methyl-N-[(1R)-tetralin-1-yl]benzenesulfonamide 2,6-difluoro-N-methyl-N-[(1R)-te…

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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) 3.85 8.26 -11.95 0 3 0 37 337.391 3 ↓

Analogs

23230040
23230040
23230038
23230038
8167229
8167229

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-difluoro-N-methyl-N-[(1S)-tetralin-1-yl]benzenesulfonamide 2,6-difluoro-N-methyl-N-[(1S)-te…

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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) 3.85 8.5 -13.02 0 3 0 37 337.391 3 ↓

Parameters Provided:

ring.id = 10007
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 = 10007 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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