UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11984781
11984781

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Popular Name: 2-[(9,9-dioxo-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5,7-tetraen-7-yl)amino]-N-[(4-fluoro-3-methyl 2-[(9,9-dioxo-9$l^{6}-thia-8-aza…

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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) 3.02 -5.49 -19.22 2 6 0 88 417.506 8 ↓

Analogs

11984778
11984778

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Popular Name: 2-[(9,9-dioxo-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5,7-tetraen-7-yl)amino]-N-[(4-fluoro-3-methyl 2-[(9,9-dioxo-9$l^{6}-thia-8-aza…

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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) 3.02 -5.49 -19.19 2 6 0 88 417.506 8 ↓

Analogs

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Popular Name: N-[(4-allyloxyphenyl)methyl]-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methyl-acetamide N-[(4-allyloxyphenyl)methyl]-2-[…

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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) 1.49 5.84 -19.99 1 7 0 88 399.472 8 ↓

Analogs

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Popular Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methyl-acetamide N-[(2,3-dimethoxyphenyl)methyl]-…

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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) 0.61 5.31 -21.55 1 8 0 97 403.46 7 ↓

Analogs

23572887
23572887

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Popular Name: (2R)-N-[(2-bromophenyl)methyl]-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methyl-propanamide (2R)-N-[(2-bromophenyl)methyl]-2…

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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) 1.88 5.89 -16.75 1 6 0 79 436.331 5 ↓

Analogs

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Popular Name: (2R)-N-[(2,3-dichlorophenyl)methyl]-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methyl-propanamide (2R)-N-[(2,3-dichlorophenyl)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) 2.38 6.32 -17.28 1 6 0 79 426.325 5 ↓

Analogs

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Popular Name: (2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[(1R)-1-phenylbutyl]propanamide (2R)-2-[(1,1-dioxo-1,2-benzothia…

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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) 1.59 6 -17.57 2 6 0 88 385.489 7 ↓

Analogs

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Popular Name: (2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[(1S)-1-phenylbutyl]propanamide (2R)-2-[(1,1-dioxo-1,2-benzothia…

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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) 1.59 6 -17.89 2 6 0 88 385.489 7 ↓

Analogs

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Popular Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[(1R)-1-phenylbutyl]propanamide (2S)-2-[(1,1-dioxo-1,2-benzothia…

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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) 1.59 6 -17.91 2 6 0 88 385.489 7 ↓

Analogs

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Popular Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[(1S)-1-phenylbutyl]propanamide (2S)-2-[(1,1-dioxo-1,2-benzothia…

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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) 1.59 6 -17.55 2 6 0 88 385.489 7 ↓

Analogs

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Popular Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]butan (2S)-2-[(1,1-dioxo-1,2-benzothia…

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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) 2.33 8.32 -18.69 1 6 0 79 431.583 7 ↓

Analogs

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Popular Name: (2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]butan (2R)-2-[(1,1-dioxo-1,2-benzothia…

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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) 2.33 7.98 -18.13 1 6 0 79 431.583 7 ↓

Analogs

14239465
14239465

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Popular Name: (2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methyl-N-(p-tolylmethyl)pentanamide (2R)-2-[(1,1-dioxo-1,2-benzothia…

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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) 2.63 6.82 -17.08 2 6 0 88 399.516 7 ↓

Analogs

14239462
14239462

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Popular Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methyl-N-(p-tolylmethyl)pentanamide (2S)-2-[(1,1-dioxo-1,2-benzothia…

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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) 2.63 6.91 -17.27 2 6 0 88 399.516 7 ↓

Analogs

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Popular Name: (2R)-N-[(4-bromophenyl)methyl]-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methyl-propanamide (2R)-N-[(4-bromophenyl)methyl]-2…

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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) 1.93 6.25 -18.51 1 6 0 79 436.331 5 ↓

Analogs

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Popular Name: (2R)-N-[(2-chloro-6-fluoro-phenyl)methyl]-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methyl-propan (2R)-N-[(2-chloro-6-fluoro-pheny…

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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) 1.86 5.87 -18.54 1 6 0 79 409.87 5 ↓

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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 = 65061 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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