UCSF
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Analogs

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Popular Name: (4R)-2-amino-4-(2-hydroxy-5-nitro-phenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile (4R)-2-amino-4-(2-hydroxy-5-nitr…

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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) 2.48 4.57 -14.55 3 8 0 142 355.35 2 ↓
Lo Low (pH 4.5-6) 2.48 4.94 -59.69 4 8 1 144 356.358 2 ↓

Analogs

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Popular Name: (4S)-2-amino-4-(2-hydroxy-5-nitro-phenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile (4S)-2-amino-4-(2-hydroxy-5-nitr…

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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) 2.48 4.61 -13.49 3 8 0 142 355.35 2 ↓
Lo Low (pH 4.5-6) 2.48 4.99 -56.41 4 8 1 144 356.358 2 ↓

Analogs

33780878
33780878
33780879
33780879
8748360
8748360

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Popular Name: 2-methoxyethyl 2-amino-7,7-dimethyl-5-oxo-4-[4-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate 2-methoxyethyl 2-amino-7,7-dimet…

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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 2.17 -11.62 2 7 0 97 455.429 8 ↓

Analogs

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Popular Name: ethyl 2-amino-4-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate ethyl 2-amino-4-(4-nitrophenyl)-…

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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) 2.84 0.6 -16.43 2 8 0 124 358.35 5 ↓

Analogs

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Popular Name: ethyl 2-amino-4-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate ethyl 2-amino-4-(4-nitrophenyl)-…

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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) 2.84 0.6 -16.4 2 8 0 124 358.35 5 ↓

Analogs

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Popular Name: 2-amino-4-(3-butoxy-4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile 2-amino-4-(3-butoxy-4-methoxyphe…

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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) 4.17 1.84 -17.51 2 6 0 94 396.487 6 ↓

Analogs

4548502
4548502
4548505
4548505
5792936
5792936
5792941
5792941

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Popular Name: 2-amino-4-(3-butoxy-4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile 2-amino-4-(3-butoxy-4-methoxyphe…

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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) 4.17 1.83 -17.43 2 6 0 94 396.487 6 ↓

Analogs

804371
804371

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Popular Name: (4R)-2-amino-4-[5-chloro-2-(2-keto-2-methoxy-ethoxy)phenyl]-5-keto-4,6,7,8-tetrahydrochromene-3-carb (4R)-2-amino-4-[5-chloro-2-(2-ke…

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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 8.41 -24.46 2 8 0 114 435.86 8 ↓

Analogs

2799117
2799117
36612741
36612741
36612742
36612742
1146257
1146257
1146256
1146256

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Popular Name: 2-[2-[(4S)-2-amino-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl]-4-bromo-phenoxy]acetic-a 2-[2-[(4S)-2-amino-3-cyano-5-ket…

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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) 3.64 9.11 -20.5 2 7 0 112 475.339 6 ↓

Analogs

36612741
36612741
36612742
36612742
2799116
2799116
1146257
1146257

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Popular Name: 2-[2-[(4R)-2-amino-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl]-4-bromo-phenoxy]acetic-a 2-[2-[(4R)-2-amino-3-cyano-5-ket…

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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) 3.64 9.1 -20.15 2 7 0 112 475.339 6 ↓

Parameters Provided:

ring.id = 52051
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 = 52051 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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