UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36157220
36157220

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Popular Name: 2-[[(3S)-1,1-dioxo-2,3-dihydrobenzothiophen-3-yl]amino]-6-fluoro-benzonitrile 2-[[(3S)-1,1-dioxo-2,3-dihydrobe…

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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) 2.32 4.54 -22.74 1 4 0 70 302.33 2 ↓

Analogs

36157215
36157215

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Popular Name: 2-[[(3R)-1,1-dioxo-2,3-dihydrobenzothiophen-3-yl]amino]-6-fluoro-benzonitrile 2-[[(3R)-1,1-dioxo-2,3-dihydrobe…

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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) 2.32 4.49 -17.24 1 4 0 70 302.33 2 ↓

Analogs

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Popular Name: N4-[(3S)-1,1-dioxo-2,3-dihydrobenzothiophen-3-yl]-N1,N1-dimethyl-benzene-1,4-diamine N4-[(3S)-1,1-dioxo-2,3-dihydrobe…

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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) 2.60 4.45 -13.49 1 4 0 49 302.399 3 ↓

Analogs

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Popular Name: N4-[(3R)-1,1-dioxo-2,3-dihydrobenzothiophen-3-yl]-N1,N1-dimethyl-benzene-1,4-diamine N4-[(3R)-1,1-dioxo-2,3-dihydrobe…

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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) 2.60 4.41 -12.7 1 4 0 49 302.399 3 ↓

Analogs

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Popular Name: (3S)-N-(4-methoxy-3-methyl-phenyl)-1,1-dioxo-2,3-dihydrobenzothiophen-3-amine (3S)-N-(4-methoxy-3-methyl-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) 2.93 4.08 -14.37 1 4 0 55 303.383 3 ↓

Analogs

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Popular Name: (3R)-N-(4-methoxy-3-methyl-phenyl)-1,1-dioxo-2,3-dihydrobenzothiophen-3-amine (3R)-N-(4-methoxy-3-methyl-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) 2.93 4.04 -13.48 1 4 0 55 303.383 3 ↓

Analogs

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Popular Name: (3S)-1,1-dioxo-N-(2-propylphenyl)-2,3-dihydrobenzothiophen-3-amine (3S)-1,1-dioxo-N-(2-propylphenyl…

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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) 3.76 6.37 -12.23 1 3 0 46 301.411 4 ↓

Analogs

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Popular Name: (3R)-1,1-dioxo-N-(2-propylphenyl)-2,3-dihydrobenzothiophen-3-amine (3R)-1,1-dioxo-N-(2-propylphenyl…

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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) 3.76 6.31 -11.53 1 3 0 46 301.411 4 ↓

Analogs

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Popular Name: (3S)-N-(5-bromo-2-methoxy-phenyl)-1,1-dioxo-2,3-dihydrobenzothiophen-3-amine (3S)-N-(5-bromo-2-methoxy-phenyl…

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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) 3.29 4.09 -13.14 1 4 0 55 368.252 3 ↓

Analogs

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Popular Name: (3R)-N-(5-bromo-2-methoxy-phenyl)-1,1-dioxo-2,3-dihydrobenzothiophen-3-amine (3R)-N-(5-bromo-2-methoxy-phenyl…

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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) 3.29 4.03 -12.42 1 4 0 55 368.252 3 ↓

Analogs

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Popular Name: (3S)-N-(4-fluoro-2-methoxy-phenyl)-1,1-dioxo-2,3-dihydrobenzothiophen-3-amine (3S)-N-(4-fluoro-2-methoxy-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) 2.65 3.53 -15.07 1 4 0 55 307.346 3 ↓

Analogs

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Popular Name: (3R)-N-(4-fluoro-2-methoxy-phenyl)-1,1-dioxo-2,3-dihydrobenzothiophen-3-amine (3R)-N-(4-fluoro-2-methoxy-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) 2.65 3.48 -13.12 1 4 0 55 307.346 3 ↓

Parameters Provided:

ring.id = 76297
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 = 76297 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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