UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37015613
37015613

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Popular Name: butanediamide, N,N'-bis[4-[(methylamino)carbonyl]phenyl]- butanediamide, N,N'-bis[4-[(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) 0.85 2.72 -26 4 8 0 116 382.42 7 ↓

Analogs

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Popular Name: butanediamide, N,N'-bis[2-(aminocarbonyl)phenyl]- butanediamide, N,N'-bis[2-(amino…

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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) 0.00 -5.54 -18.21 6 8 0 144 354.366 7 ↓

Analogs

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Popular Name: butanediamide, N,N'-bis[3-[(dipropylamino)carbonyl]phenyl]- butanediamide, N,N'-bis[3-[(dipr…

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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) 3.86 12.67 -28.33 2 8 0 99 522.69 15 ↓

Analogs

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Popular Name: N-(4-carbamoyl-3-methyl-phenyl)-N'-(2-cyanoethyl)-N'-phenyl-butanediamide N-(4-carbamoyl-3-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) 0.69 6.81 -21 3 7 0 116 378.432 8 ↓

Analogs

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Popular Name: butanediamide, N,N'-bis[3-(acetylamino)-4-methylphenyl]- butanediamide, N,N'-bis[3-(acety…

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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) 1.65 5.76 -21.53 4 8 0 116 410.474 7 ↓

Analogs

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Popular Name: butanediamide, N,N'-bis[4-[3-(methylamino)-3-oxopropyl]phenyl]- butanediamide, N,N'-bis[4-[3-(me…

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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) 2.07 5.78 -21.72 4 8 0 116 438.528 11 ↓

Analogs

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Popular Name: butanediamide, N,N'-bis(3,4-dimethoxyphenyl)- butanediamide, N,N'-bis(3,4-dime…

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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) 1.75 4.63 -16.91 2 8 0 95 388.42 9 ↓

Parameters Provided:

ring.id = 23196
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 = 23196 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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