UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N'-(2-methoxyphenyl)-N-(p-tolyl)propanediamide N'-(2-methoxyphenyl)-N-(p-tolyl)…

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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 6.81 -19.23 2 5 0 67 298.342 5 ↓

Analogs

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Popular Name: N'-(3-fluorophenyl)-N-(2-methoxyphenyl)propanediamide N'-(3-fluorophenyl)-N-(2-methoxy…

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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 6.2 -22.07 2 5 0 67 302.305 5 ↓

Analogs

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Popular Name: N'-(3-methylsulfanylphenyl)-N-(p-tolyl)propanediamide N'-(3-methylsulfanylphenyl)-N-(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) 3.05 8.43 -19.86 2 4 0 58 314.41 5 ↓

Analogs

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Popular Name: N'-(2-methoxyphenyl)-N-(3-methoxyphenyl)propanediamide N'-(2-methoxyphenyl)-N-(3-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) 2.23 5.43 -22.79 2 6 0 77 314.341 6 ↓

Analogs

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Popular Name: N-(2-fluorophenyl)-N'-(4-fluorophenyl)propanediamide N-(2-fluorophenyl)-N'-(4-fluorop…

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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) 2.47 6.88 -18.05 2 4 0 58 290.269 4 ↓

Analogs

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Popular Name: N-(2-ethylphenyl)-N'-(p-tolyl)propanediamide N-(2-ethylphenyl)-N'-(p-tolyl)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) 3.50 9.06 -19.81 2 4 0 58 296.37 5 ↓

Analogs

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Popular Name: N'-(2-fluorophenyl)-N-(3-methoxyphenyl)propanediamide N'-(2-fluorophenyl)-N-(3-methoxy…

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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 6.11 -21.15 2 5 0 67 302.305 5 ↓

Analogs

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Popular Name: N'-phenyl-N-(p-tolyl)propanediamide N'-phenyl-N-(p-tolyl)propanediamide

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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) 2.64 7.41 -20.51 2 4 0 58 268.316 4 ↓

Analogs

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Popular Name: N-(2-isopropylphenyl)-N'-(2-methoxyphenyl)propanediamide N-(2-isopropylphenyl)-N'-(2-meth…

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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) 3.19 8.26 -18.54 2 5 0 67 326.396 6 ↓

Analogs

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Popular Name: N'-(2,4-dimethylphenyl)-N-(p-tolyl)propanediamide N'-(2,4-dimethylphenyl)-N-(p-tol…

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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 8.97 -20.61 2 4 0 58 296.37 4 ↓

Analogs

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Popular Name: N'-(3-carbamoylphenyl)-N-(2-methoxyphenyl)propanediamide N'-(3-carbamoylphenyl)-N-(2-meth…

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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) 0.99 2.92 -30.97 4 7 0 111 327.34 6 ↓

Analogs

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Popular Name: N-(2,4-dimethylphenyl)-N'-(2-methoxyphenyl)propanediamide N-(2,4-dimethylphenyl)-N'-(2-met…

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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 7.71 -19.42 2 5 0 67 312.369 5 ↓

Analogs

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Popular Name: N'-(2-methoxyphenyl)-N-(4-methoxyphenyl)propanediamide N'-(2-methoxyphenyl)-N-(4-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) 2.25 5.43 -19.96 2 6 0 77 314.341 6 ↓

Analogs

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Popular Name: N'-(2-methoxyphenyl)-N-(o-tolyl)propanediamide N'-(2-methoxyphenyl)-N-(o-tolyl)…

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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 7.05 -19.28 2 5 0 67 298.342 5 ↓

Analogs

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Popular Name: N-(2,6-dimethylphenyl)-N'-(2-methoxyphenyl)propanediamide N-(2,6-dimethylphenyl)-N'-(2-met…

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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) 2.06 7.53 -18.03 2 5 0 67 312.369 5 ↓

Analogs

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Popular Name: N'-(5-carbamoyl-2-chloro-phenyl)-N-(2-methoxyphenyl)propanediamide N'-(5-carbamoyl-2-chloro-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) 1.62 3.52 -27.09 4 7 0 111 361.785 6 ↓

Analogs

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Popular Name: N-(2-ethylphenyl)-N'-(2-methoxyphenyl)propanediamide N-(2-ethylphenyl)-N'-(2-methoxyp…

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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 7.83 -18.59 2 5 0 67 312.369 6 ↓

Analogs

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Popular Name: N'-(2,4-difluorophenyl)-N-(2-fluorophenyl)propanediamide N'-(2,4-difluorophenyl)-N-(2-flu…

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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) 2.56 7.02 -14.46 2 4 0 58 308.259 4 ↓

Analogs

44882627
44882627
44882630
44882630
44882633
44882633

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Popular Name: 2-[(hydroxyimino)methyl]-N~1~,N~3~-diphenylmalonamide 2-[(hydroxyimino)methyl]-N~1~,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) 1.84 4.41 -15.11 3 6 0 91 297.314 5 ↓
Ref Reference (pH 7) 1.84 4.38 -15.17 3 6 0 91 297.314 5 ↓
Mid Mid (pH 6-8) 1.69 4.95 -47.44 3 6 -1 97 296.306 5 ↓

Parameters Provided:

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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 = 171532 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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