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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37779782
37779782
12781399
12781399

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Popular Name: N-cyclopropyl-4-[(4-hydroxyphenyl)methylamino]benzamide N-cyclopropyl-4-[(4-hydroxypheny…

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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) 2.27 4.26 -10.76 3 4 0 61 282.343 5 ↓

Analogs

37779784
37779784
12775817
12775817

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Popular Name: 4-[(4-bromophenyl)methylamino]-N-cyclopropyl-benzamide 4-[(4-bromophenyl)methylamino]-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) 3.56 7.74 -9.4 2 3 0 41 345.24 5 ↓

Analogs

37779786
37779786
35252246
35252246
12404444
12404444

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Popular Name: N-cyclopropyl-4-[(4-fluorophenyl)methylamino]benzamide N-cyclopropyl-4-[(4-fluorophenyl…

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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) 2.92 7.18 -10.01 2 3 0 41 284.334 5 ↓

Analogs

37779787
37779787
12800651
12800651

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Popular Name: 4-[(3-bromophenyl)methylamino]-N-cyclopropyl-benzamide 4-[(3-bromophenyl)methylamino]-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) 3.54 7.73 -9.48 2 3 0 41 345.24 5 ↓

Analogs

25704301
25704301
22992594
22992594
12138373
12138373

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Popular Name: N-cyclopropyl-4-(p-tolylmethylamino)benzamide N-cyclopropyl-4-(p-tolylmethylam…

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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) 3.20 7.79 -8.98 2 3 0 41 280.371 5 ↓

Analogs

37779763
37779763
1651549
1651549
12781394
12781394
12781399
12781399

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Popular Name: N-cyclopropyl-4-[(2-hydroxyphenyl)methylamino]benzamide N-cyclopropyl-4-[(2-hydroxypheny…

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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) 2.69 4.3 -10.84 3 4 0 61 282.343 5 ↓

Analogs

49340814
49340814
25704301
25704301
22992594
22992594
35252238
35252238
1514049
1514049

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Popular Name: 4-(benzylamino)-N-cyclopropyl-benzamide 4-(benzylamino)-N-cyclopropyl-be…

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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) 2.75 7.12 -8.95 2 3 0 41 266.344 5 ↓

Analogs

37779706
37779706
12766499
12766499
12910748
12910748
1651549
1651549

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-4-[(3-hydroxyphenyl)methylamino]benzamide N-cyclopropyl-4-[(3-hydroxypheny…

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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 4.26 -11.1 3 4 0 61 282.343 5 ↓

Analogs

37779836
37779836
12912139
12912139
14837565
14837565
14837566
14837566

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Popular Name: 4-[(2-bromophenyl)methylamino]-N-cyclopropyl-benzamide 4-[(2-bromophenyl)methylamino]-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) 3.51 7.61 -9.41 2 3 0 41 345.24 5 ↓

Analogs

37779715
37779715
12915108
12915108
12911679
12911679
14837699
14837699
14837700
14837700

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3-chlorophenyl)methylamino]-N-cyclopropyl-benzamide 4-[(3-chlorophenyl)methylamino]-…

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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) 3.41 7.63 -9.51 2 3 0 41 300.789 5 ↓

Analogs

37779701
37779701
37779702
37779702
12906310
12906310
12911671
12911671
35252238
35252238

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Popular Name: N-cyclopropyl-4-[[(1S)-1-phenylethyl]amino]benzamide N-cyclopropyl-4-[[(1S)-1-phenyle…

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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) 3.31 7.84 -9.2 2 3 0 41 280.371 5 ↓

Analogs

37779701
37779701
37779702
37779702
12906310
12906310
12911671
12911671
35252238
35252238

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-4-[[(1R)-1-phenylethyl]amino]benzamide N-cyclopropyl-4-[[(1R)-1-phenyle…

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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) 3.31 7.84 -9.19 2 3 0 41 280.371 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-3-nitro-4-[[2-(propoxymethyl)phenyl]methylamino]benzamide N-cyclopropyl-3-nitro-4-[[2-(pro…

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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) 3.42 9.65 -16.91 2 7 0 96 383.448 10 ↓

Analogs

45681294
45681294

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Popular Name: N-cyclopropyl-4-[(2,3-dimethoxyphenyl)methylamino]-3-nitro-benzamide N-cyclopropyl-4-[(2,3-dimethoxyp…

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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) 2.46 7.71 -17.66 2 8 0 105 371.393 8 ↓

Parameters Provided:

ring.id = 85937
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 = 85937 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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