UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39548388
39548388
39548423
39548423

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Popular Name: N-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-3-[(2-nitrophenyl)amino]propanamide N-[5-(diethylsulfamoyl)-2-methox…

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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 6.13 -20.33 2 10 0 134 450.517 11 ↓

Analogs

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Popular Name: 3-[(2-nitrophenyl)amino]-N-(2-propoxyphenyl)propanamide 3-[(2-nitrophenyl)amino]-N-(2-pr…

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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) 3.67 7.93 -11.82 2 7 0 96 343.383 9 ↓

Analogs

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Popular Name: N-(2-fluorophenyl)-3-(N-methylanilino)propanamide N-(2-fluorophenyl)-3-(N-methylan…

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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) 3.23 7.97 -7.34 1 3 0 32 272.323 5 ↓

Analogs

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Popular Name: N-(5-chloro-2-methoxy-phenyl)-3-(N-methylanilino)propanamide N-(5-chloro-2-methoxy-phenyl)-3-…

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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) 3.78 7.8 -8.67 1 4 0 42 318.804 6 ↓

Analogs

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Popular Name: N-(2,6-difluorophenyl)-3-[2-nitro-4-(trifluoromethyl)anilino]propanamide N-(2,6-difluorophenyl)-3-[2-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) 3.88 8.21 -11.67 2 6 0 87 389.28 7 ↓

Analogs

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Popular Name: methyl methyl

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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) 4.43 9.33 -13.86 2 8 0 113 445.781 9 ↓

Analogs

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Popular Name: 3-(5-chloro-2-methoxy-anilino)-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]propanamide 3-(5-chloro-2-methoxy-anilino)-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) 3.57 5.7 -13.2 2 6 0 69 396.846 10 ↓

Analogs

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Popular Name: N-ethyl-3-[3-(N-methylanilino)propanoylamino]benzamide N-ethyl-3-[3-(N-methylanilino)pr…

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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) 2.66 6.98 -18.05 2 5 0 61 325.412 7 ↓

Analogs

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Popular Name: S-[2-[3-(2-nitroanilino)propanoylamino]phenyl] S-[2-[3-(2-nitroanilino)propanoy…

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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) 3.06 7.78 -16.66 2 8 0 107 388.449 8 ↓

Analogs

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Popular Name: N-(5-acetamido-2-methyl-phenyl)-3-(N-methylanilino)propanamide N-(5-acetamido-2-methyl-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) 2.71 7.65 -12.85 2 5 0 61 325.412 6 ↓

Analogs

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Popular Name: 4-[3-(5-chloro-2-methoxy-anilino)propanoylamino]benzamide 4-[3-(5-chloro-2-methoxy-anilino…

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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) 2.35 2.83 -18.87 4 6 0 93 347.802 7 ↓

Analogs

37030520
37030520
42580128
42580128

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Popular Name: 3-anilino-N-(4-chloro-3-fluoro-phenyl)propanamide 3-anilino-N-(4-chloro-3-fluoro-p…

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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 6.68 -12.98 2 3 0 41 292.741 5 ↓

Analogs

25539631
25539631

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Popular Name: 3-anilino-N-(5-bromo-2-methyl-phenyl)propanamide 3-anilino-N-(5-bromo-2-methyl-ph…

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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) 4.06 7.62 -11.42 2 3 0 41 333.229 5 ↓

Analogs

36747120
36747120

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Popular Name: 3-anilino-N-(2,3-difluorophenyl)propanamide 3-anilino-N-(2,3-difluorophenyl)…

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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) 3.10 6.27 -9.02 2 3 0 41 276.286 5 ↓

Analogs

3958131
3958131

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Popular Name: 3-(2-methylanilino)-N-(m-tolyl)propanamide 3-(2-methylanilino)-N-(m-tolyl)p…

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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) 3.69 7.57 -10.36 2 3 0 41 268.36 5 ↓

Analogs

44252236
44252236

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Popular Name: 3-(2-methylanilino)-N-(o-tolyl)propanamide 3-(2-methylanilino)-N-(o-tolyl)p…

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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) 3.67 7.76 -10.36 2 3 0 41 268.36 5 ↓

Analogs

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Popular Name: N-(2-chlorophenyl)-3-(2-methylanilino)propanamide N-(2-chlorophenyl)-3-(2-methylan…

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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 7.54 -8.39 2 3 0 41 288.778 5 ↓

Analogs

37078800
37078800

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Popular Name: 3-anilino-N-(3-cyanophenyl)propanamide 3-anilino-N-(3-cyanophenyl)propa…

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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 6.5 -15.15 2 4 0 65 265.316 5 ↓

Analogs

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Popular Name: 3-(3,5-dimethylanilino)-N-(4-ureidophenyl)propanamide 3-(3,5-dimethylanilino)-N-(4-ure…

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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 3.52 -19.54 5 6 0 96 326.4 6 ↓

Analogs

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Popular Name: N-[4-(isopropylsulfamoyl)phenyl]-3-(2-methylanilino)propanamide N-[4-(isopropylsulfamoyl)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) 3.01 4.57 -15.9 3 6 0 87 375.494 8 ↓

Parameters Provided:

ring.id = 27173
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 = 27173 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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