UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-methoxy-4-[2-(methylamino)-2-oxo-ethoxy]-N-(1-naphthyl)benzamide 3-methoxy-4-[2-(methylamino)-2-o…

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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) 2.74 7.53 -23.61 2 6 0 77 364.401 6 ↓

Analogs

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Popular Name: 3-(1-naphthylcarbamoyl)-5-nitro-benzoic 3-(1-naphthylcarbamoyl)-5-nitro-…

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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) 3.79 9.23 -49.36 1 7 -1 115 335.295 4 ↓

Analogs

34441934
34441934

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Popular Name: 4-(1-naphthylcarbamoyl)benzoic 4-(1-naphthylcarbamoyl)benzoic

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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) 3.90 8.54 -50.54 1 4 -1 69 290.298 3 ↓

Analogs

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Popular Name: 2-chloro-5-(diethylsulfamoyl)-N-methyl-N-(1-naphthyl)benzamide 2-chloro-5-(diethylsulfamoyl)-N-…

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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) 4.90 10.83 -15.97 0 5 0 58 430.957 6 ↓

Analogs

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Popular Name: 4-(ethyl-methylsulfonyl-amino)-N-(1-naphthyl)benzamide 4-(ethyl-methylsulfonyl-amino)-N…

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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) 3.84 7.79 -16.85 1 5 0 66 368.458 5 ↓

Analogs

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Popular Name: 3,5-dichloro-2-methoxy-N-(1-naphthyl)benzamide 3,5-dichloro-2-methoxy-N-(1-naph…

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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) 5.80 10.43 -8.7 1 3 0 38 346.213 3 ↓

Analogs

21813157
21813157

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Popular Name: 2-methoxy-3-methyl-N-(1-naphthyl)benzamide 2-methoxy-3-methyl-N-(1-naphthyl…

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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) 4.95 10.01 -11.79 1 3 0 38 291.35 3 ↓

Analogs

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Popular Name: pentanoic acid, 5-[[4-[(ethyl-1-naphthalenylamino)carbonyl]phenyl]amino]-5-oxo- pentanoic acid, 5-[[4-[(ethyl-1-…

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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) 4.08 11.35 -66.21 1 6 -1 90 403.458 8 ↓

Analogs

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Popular Name: benzamide, N-ethyl-N-1-naphthalenyl-4-[(1-oxohexyl)amino]- benzamide, N-ethyl-N-1-naphthale…

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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) 6.24 12.93 -13.75 1 4 0 49 388.511 8 ↓

Analogs

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Popular Name: propanoic acid, 3-[[4-[(ethyl-1-naphthalenylamino)carbonyl]phenyl]amino]-3-oxo-, ethyl ester propanoic acid, 3-[[4-[(ethyl-1-…

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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) 3.99 12.37 -23.17 1 6 0 76 404.466 8 ↓

Analogs

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Popular Name: benzamide, 4-[(2,2-dicyanoethenyl)amino]-N-ethyl-N-1-naphthalenyl- benzamide, 4-[(2,2-dicyanoetheny…

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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) 4.15 11.95 -16.17 1 5 0 80 366.424 5 ↓

Analogs

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Popular Name: 2-propenoic acid, 2-cyano-3-[[4-[(ethyl-1-naphthalenylamino)carbonyl]phenyl]amino]-, methyl ester 2-propenoic acid, 2-cyano-3-[[4-…

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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) 4.23 12.76 -14.08 1 6 0 82 399.45 7 ↓

Analogs

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Popular Name: 2-propenoic acid, 2-cyano-3-[[4-[(ethyl-1-naphthalenylamino)carbonyl]phenyl]amino]-, ethyl ester 2-propenoic acid, 2-cyano-3-[[4-…

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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) 4.60 13.68 -13.88 1 6 0 82 413.477 8 ↓

Analogs

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Popular Name: benzamide, 4-[(4-chloro-1-oxobutyl)amino]-N-ethyl-N-1-naphthalenyl- benzamide, 4-[(4-chloro-1-oxobut…

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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) 4.93 11.99 -17.79 1 4 0 49 394.902 7 ↓

Analogs

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Popular Name: benzamide, N-ethyl-N-1-naphthalenyl-4-[[(2-propenylamino)thioxomethyl]amino]- benzamide, N-ethyl-N-1-naphthale…

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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) 4.66 11.98 -17.72 2 4 0 44 389.524 8 ↓

Analogs

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Popular Name: 2-amino-4-fluoro-N-(1-naphthyl)benzamide 2-amino-4-fluoro-N-(1-naphthyl)b…

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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) 3.56 7.17 -7.87 3 3 0 55 280.302 2 ↓

Analogs

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Popular Name: 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanyl-N-(1-naphthyl)benzamide 2-[2-(isopropylamino)-2-oxo-ethy…

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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) 4.15 10 -19.88 2 4 0 58 378.497 6 ↓

Analogs

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Popular Name: 2-[2-(2-methoxyethylamino)-2-oxo-ethyl]sulfanyl-N-(1-naphthyl)benzamide 2-[2-(2-methoxyethylamino)-2-oxo…

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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) 3.46 8.27 -20.17 2 5 0 67 394.496 8 ↓

Analogs

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Popular Name: 2-chloro-5-[isopropyl(methyl)sulfamoyl]-N-(1-naphthyl)benzamide 2-chloro-5-[isopropyl(methyl)sul…

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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) 4.58 8.83 -12.96 1 5 0 66 416.93 5 ↓

Analogs

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Popular Name: 2-chloro-5-ethylsulfonyl-N-methyl-N-(1-naphthyl)benzamide 2-chloro-5-ethylsulfonyl-N-methy…

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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) 4.08 9.54 -18.93 0 4 0 54 387.888 4 ↓

Analogs

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Popular Name: N-methyl-N-(1-naphthyl)benzamide N-methyl-N-(1-naphthyl)benzamide

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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) 4.23 10.61 -11.56 0 2 0 20 261.324 2 ↓

Analogs

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Popular Name: 5-methoxy-N-methyl-N-(1-naphthyl)-2-nitro-benzamide 5-methoxy-N-methyl-N-(1-naphthyl…

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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) 4.18 11.56 -17.82 0 6 0 75 336.347 4 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 35539 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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