UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N'-(2-chloro-4-methoxy-phenyl)-N-[3-(N-methylanilino)propyl]oxamide N'-(2-chloro-4-methoxy-phenyl)-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) 2.88 6.25 -7.62 2 6 0 71 375.856 8 ↓
Lo Low (pH 4.5-6) 2.88 6.68 -25.5 3 6 0 72 376.864 8 ↓

Analogs

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Popular Name: N-(5-cyano-2-isopropoxy-phenyl)-N'-[3-(N-methylanilino)propyl]oxamide N-(5-cyano-2-isopropoxy-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) 2.70 7.76 -11.18 2 7 0 94 394.475 9 ↓
Lo Low (pH 4.5-6) 2.70 8.19 -28.25 3 7 0 96 395.483 9 ↓

Analogs

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Popular Name: N'-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[3-(N-methylanilino)propyl]oxamide N'-[4-fluoro-3-(trifluoromethyl)…

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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) 3.21 7.4 -8.02 2 5 0 61 397.372 8 ↓
Hi High (pH 8-9.5) 3.39 6.58 -38.29 1 5 -1 68 396.364 8 ↓
Lo Low (pH 4.5-6) 3.21 7.84 -82.23 3 5 0 63 398.38 8 ↓

Analogs

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Popular Name: N-[3-(N-ethylanilino)propyl]-N'-(3-ethynylphenyl)oxamide N-[3-(N-ethylanilino)propyl]-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) 2.34 8.47 -10.46 2 5 0 61 349.434 8 ↓

Analogs

36730423
36730423
36730425
36730425
34959885
34959885

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Popular Name: N-[3-(N-ethylanilino)propyl]-N'-(m-tolyl)oxamide N-[3-(N-ethylanilino)propyl]-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) 3.02 7.95 -8.02 2 5 0 61 339.439 8 ↓

Analogs

36730951
36730951

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Popular Name: N-[3-(N-ethylanilino)propyl]-N'-(3-methoxyphenyl)oxamide N-[3-(N-ethylanilino)propyl]-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) 2.63 6.57 -10.36 2 6 0 71 355.438 9 ↓

Analogs

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Popular Name: N'-(4-ethoxyphenyl)-N-[3-(N-ethylanilino)propyl]oxamide N'-(4-ethoxyphenyl)-N-[3-(N-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) 3.03 7.5 -8.76 2 6 0 71 369.465 10 ↓

Analogs

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Popular Name: N-[3-(N-ethylanilino)propyl]-N'-(3-nitrophenyl)oxamide N-[3-(N-ethylanilino)propyl]-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) 2.53 7.98 -14.18 2 8 0 107 370.409 9 ↓

Analogs

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Popular Name: N-[3-(N-ethylanilino)propyl]-N'-(4-methoxyphenyl)oxamide N-[3-(N-ethylanilino)propyl]-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) 2.65 6.56 -8.94 2 6 0 71 355.438 9 ↓

Analogs

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Popular Name: N-[3-(N-ethylanilino)propyl]-N'-(2,3,4-trifluorophenyl)oxamide N-[3-(N-ethylanilino)propyl]-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) 2.94 7.5 -7.76 2 5 0 61 379.382 8 ↓

Analogs

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Popular Name: N'-(2,5-difluorophenyl)-N-[3-(N-ethylanilino)propyl]oxamide N'-(2,5-difluorophenyl)-N-[3-(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) 2.85 7.44 -7.81 2 5 0 61 361.392 8 ↓

Analogs

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Popular Name: N'-(2,6-difluorophenyl)-N-[3-(N-ethylanilino)propyl]oxamide N'-(2,6-difluorophenyl)-N-[3-(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) 2.83 7.5 -10.72 2 5 0 61 361.392 8 ↓

Analogs

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Popular Name: N'-(3,4-difluorophenyl)-N-[3-(N-ethylanilino)propyl]oxamide N'-(3,4-difluorophenyl)-N-[3-(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) 2.85 7.39 -9.99 2 5 0 61 361.392 8 ↓

Analogs

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Popular Name: N-[3-(N-ethylanilino)propyl]-N'-(5-fluoro-2-methyl-phenyl)oxamide N-[3-(N-ethylanilino)propyl]-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) 3.14 8.19 -9.05 2 5 0 61 357.429 8 ↓

Analogs

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Popular Name: N-[3-(N-ethylanilino)propyl]-N'-(2-methoxy-5-methyl-phenyl)oxamide N-[3-(N-ethylanilino)propyl]-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) 3.03 7.35 -8.96 2 6 0 71 369.465 9 ↓

Analogs

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Popular Name: N-[3-(N-ethylanilino)propyl]-N'-(3-fluoro-4-methyl-phenyl)oxamide N-[3-(N-ethylanilino)propyl]-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) 3.14 7.98 -9.5 2 5 0 61 357.429 8 ↓

Analogs

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Popular Name: N-[3-(N-ethylanilino)propyl]-N'-(2-methyl-3-nitro-phenyl)oxamide N-[3-(N-ethylanilino)propyl]-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) 2.91 8.76 -9.48 2 8 0 107 384.436 9 ↓

Analogs

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Popular Name: N-[3-(N-ethylanilino)propyl]-N'-(2-fluoro-4-methyl-phenyl)oxamide N-[3-(N-ethylanilino)propyl]-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) 3.14 8.05 -7.68 2 5 0 61 357.429 8 ↓

Analogs

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Popular Name: N'-(3-cyanophenyl)-N-[3-(N-ethylanilino)propyl]oxamide N'-(3-cyanophenyl)-N-[3-(N-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) 2.33 7.66 -11.75 2 6 0 85 350.422 8 ↓

Analogs

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Popular Name: N'-(2-ethoxyphenyl)-N-[3-(N-ethylanilino)propyl]oxamide N'-(2-ethoxyphenyl)-N-[3-(N-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) 2.98 7.61 -8.67 2 6 0 71 369.465 10 ↓

Analogs

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Popular Name: N-[3-(N-ethylanilino)propyl]-N'-(2-fluoro-5-methyl-phenyl)oxamide N-[3-(N-ethylanilino)propyl]-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) 3.14 8.05 -7.79 2 5 0 61 357.429 8 ↓

Analogs

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Popular Name: N-[3-(N-ethylanilino)propyl]-N'-(3-fluoro-4-methoxy-phenyl)oxamide N-[3-(N-ethylanilino)propyl]-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) 2.74 6.64 -11.73 2 6 0 71 373.428 9 ↓

Analogs

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Popular Name: N-[3-(N-ethylanilino)propyl]-N'-(4-fluoro-2-methyl-phenyl)oxamide N-[3-(N-ethylanilino)propyl]-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) 3.14 8.19 -7.58 2 5 0 61 357.429 8 ↓

Analogs

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Popular Name: N-[3-(N-ethylanilino)propyl]-N'-[2-(methoxymethyl)phenyl]oxamide N-[3-(N-ethylanilino)propyl]-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) 2.50 7.29 -7.99 2 6 0 71 369.465 10 ↓

Analogs

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Popular Name: N-[3-(N-ethylanilino)propyl]-N'-(4-methylsulfanylphenyl)oxamide N-[3-(N-ethylanilino)propyl]-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) 3.03 8.29 -8.04 2 5 0 61 371.506 9 ↓

Analogs

36730799
36730799

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Popular Name: N'-(3,5-difluorophenyl)-N-[3-(N-ethylanilino)propyl]oxamide N'-(3,5-difluorophenyl)-N-[3-(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) 2.85 7.41 -7.16 2 5 0 61 361.392 8 ↓

Parameters Provided:

ring.id = 27157
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 = 27157 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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