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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-[[(3S)-3-hydroxy-1-piperidyl]sulfonyl]-4H-1,4-benzoxazin-3-one 6-[[(3S)-3-hydroxy-1-piperidyl]s…

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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) 0.03 -1.66 -12.73 2 7 0 96 312.347 2 ↓

Analogs

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Popular Name: 6-[[(3R)-3-hydroxy-1-piperidyl]sulfonyl]-4H-1,4-benzoxazin-3-one 6-[[(3R)-3-hydroxy-1-piperidyl]s…

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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) 0.03 -1.64 -12.8 2 7 0 96 312.347 2 ↓

Analogs

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Popular Name: (2R)-2-methyl-6-(1-piperidylsulfonyl)-4H-1,4-benzoxazin-3-one (2R)-2-methyl-6-(1-piperidylsulf…

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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) 1.55 2.5 -10.42 1 6 0 76 310.375 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-6-(1-piperidylsulfonyl)-4H-1,4-benzoxazin-3-one (2S)-2-methyl-6-(1-piperidylsulf…

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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) 1.55 2.4 -10.7 1 6 0 76 310.375 2 ↓

Analogs

40149752
40149752
42623532
42623532
51160298
51160298
19346264
19346264
4622822
4622822

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(4-amino-1-piperidyl)sulfonyl]-4H-1,4-benzoxazin-3-one 6-[(4-amino-1-piperidyl)sulfonyl…

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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) -0.46 -1.06 -56.44 4 7 1 103 312.371 2 ↓

Analogs

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Popular Name: (3R)-N-ethyl-1-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-3-carboxamide (3R)-N-ethyl-1-[(3-oxo-4H-1,4-be…

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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) 0.53 0.68 -18.09 2 8 0 105 367.427 4 ↓

Analogs

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Popular Name: (3S)-N-ethyl-1-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-3-carboxamide (3S)-N-ethyl-1-[(3-oxo-4H-1,4-be…

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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) 0.53 0.7 -16.65 2 8 0 105 367.427 4 ↓

Analogs

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Popular Name: 1-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-4-carbonitrile 1-[(3-oxo-4H-1,4-benzoxazin-6-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) 0.83 1.98 -17.01 1 7 0 100 321.358 2 ↓

Analogs

15941829
15941829

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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) 1.29 3.21 -15.19 1 8 0 102 368.411 5 ↓

Analogs

15941827
15941827

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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) 1.29 3.23 -14.37 1 8 0 102 368.411 5 ↓

Parameters Provided:

ring.id = 18764
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 = 18764 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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