UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

10507697
10507697
10507709
10507709

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Popular Name: decanediamide, N,N'-bis[2-(2-ethoxyethoxy)phenyl]- decanediamide, N,N'-bis[2-(2-eth…

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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) 6.04 12.12 -18.07 2 8 0 95 528.69 21 ↓

Analogs

37007553
37007553
37046532
37046532
37046533
37046533
37046637
37046637
37046699
37046699

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Popular Name: decanediamide, N,N'-bis[4-[2-(dimethylamino)-2-oxoethyl]phenyl]- decanediamide, N,N'-bis[4-[2-(di…

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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 12.75 -32.17 2 8 0 99 522.69 15 ↓

Analogs

6396652
6396652

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Popular Name: decanediamide, N,N'-bis[4-[(methylamino)carbonyl]phenyl]- decanediamide, 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) 3.88 7.38 -29.73 4 8 0 116 466.582 13 ↓

Analogs

14553712
14553712
19484448
19484448
5461570
5461570

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Popular Name: decanediamide, N,N'-bis(3-bromophenyl)- decanediamide, N,N'-bis(3-bromop…

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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) 7.06 12.17 -15.33 2 4 0 58 510.27 11 ↓

Analogs

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Popular Name: decanediamide, N,N'-bis[3-(acetylamino)-4-methylphenyl]- decanediamide, 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) 4.68 10.44 -25.42 4 8 0 116 494.636 13 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: decanediamide, N,N'-bis[4-[3-(methylamino)-3-oxopropyl]phenyl]- decanediamide, 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) 5.10 10.46 -25.8 4 8 0 116 522.69 17 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: decanediamide, N,N'-bis(3,4-dimethoxyphenyl)- decanediamide, 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) 4.79 9.33 -21.28 2 8 0 95 472.582 15 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: decanediamide, N,N'-bis(2-methoxy-4-nitrophenyl)- decanediamide, N,N'-bis(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) 5.38 11.23 -17.18 2 12 0 168 502.524 15 ↓

Parameters Provided:

ring.id = 9394
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 = 9394 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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