UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-4-fluoro-benzamide 2-amino-N-(cyclohexylmethyl)-N-c…

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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) 3.13 7.91 -5.62 2 3 0 46 290.382 4 ↓

Analogs

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Popular Name: 2-chloro-N-(cyclohexylmethyl)-N-cyclopropyl-5-ethylsulfonyl-benzamide 2-chloro-N-(cyclohexylmethyl)-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) 3.41 8.98 -12.08 0 4 0 54 383.941 6 ↓

Analogs

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Popular Name: 5-chloro-N-(cyclohexylmethyl)-N-cyclopropyl-2-fluoro-benzamide 5-chloro-N-(cyclohexylmethyl)-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) 4.33 10.61 -7.49 0 2 0 20 309.812 4 ↓

Analogs

37506576
37506576
37506575
37506575
37506574
37506574
37506573
37506573
36882868
36882868

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Popular Name: 2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-5-fluoro-benzamide 2-amino-N-(cyclohexylmethyl)-N-c…

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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) 3.13 7.92 -5.41 2 3 0 46 290.382 4 ↓

Analogs

59683813
59683813
59683819
59683819
59683824
59683824
30380196
30380196
30380191
30380191

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Popular Name: 4-(aminomethyl)-N-(cyclohexylmethyl)-N-cyclopropyl-benzamide 4-(aminomethyl)-N-(cyclohexylmet…

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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) 2.74 8.11 -53.85 3 3 1 48 287.427 5 ↓
Hi High (pH 8-9.5) 2.74 7.7 -6.78 2 3 0 46 286.419 5 ↓

Analogs

36826108
36826108
36826115
36826115
36826113
36826113
36826111
36826111

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Popular Name: 3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-benzamide 3-amino-N-(cyclohexylmethyl)-N-c…

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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) 2.61 7.94 -7.45 2 3 0 46 272.392 4 ↓

Analogs

35924034
35924034
36826082
36826082

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Popular Name: 4-amino-N-(cyclohexylmethyl)-N-cyclopropyl-benzamide 4-amino-N-(cyclohexylmethyl)-N-c…

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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) 2.63 7.94 -7.64 2 3 0 46 272.392 4 ↓

Analogs

36826047
36826047
36826049
36826049
36826051
36826051
36826053
36826053
22163492
22163492

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Popular Name: 3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-4-methyl-benzamide 3-amino-N-(cyclohexylmethyl)-N-c…

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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 8.71 -7.42 2 3 0 46 286.419 4 ↓

Analogs

36826106
36826106
36826104
36826104
36826102
36826102
36826100
36826100
22218703
22218703

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Popular Name: 3-amino-4-chloro-N-(cyclohexylmethyl)-N-cyclopropyl-benzamide 3-amino-4-chloro-N-(cyclohexylme…

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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) 3.65 8.52 -6.04 2 3 0 46 306.837 4 ↓

Analogs

36826062
36826062
36826064
36826064
36826066
36826066
36826067
36826067

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Popular Name: 4-amino-N-(cyclohexylmethyl)-N-cyclopropyl-3-methyl-benzamide 4-amino-N-(cyclohexylmethyl)-N-c…

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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 8.72 -7.88 2 3 0 46 286.419 4 ↓

Analogs

36826798
36826798
36826799
36826799
36826800
36826800
36826797
36826797
37006403
37006403

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Popular Name: 4-(chloromethyl)-N-(cyclohexylmethyl)-N-cyclopropyl-benzamide 4-(chloromethyl)-N-(cyclohexylme…

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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) 4.13 11.35 -7.66 0 2 0 20 305.849 5 ↓

Analogs

36826774
36826774
36826776
36826776
36826775
36826775
36826773
36826773
37342772
37342772

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(chloromethyl)-N-(cyclohexylmethyl)-N-cyclopropyl-benzamide 3-(chloromethyl)-N-(cyclohexylme…

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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) 4.11 11.34 -7.42 0 2 0 20 305.849 5 ↓

Analogs

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Popular Name: N-(cyclohexylmethyl)-N-cyclopropyl-5-methoxy-2-nitro-benzamide N-(cyclohexylmethyl)-N-cycloprop…

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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 10.25 -14.74 0 6 0 75 332.4 6 ↓

Analogs

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Popular Name: N-(cyclohexylmethyl)-N-cyclopropyl-2-(methylamino)benzamide N-(cyclohexylmethyl)-N-cycloprop…

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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) 3.37 8.97 -6.02 1 3 0 32 286.419 5 ↓

Parameters Provided:

ring.id = 214459
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 = 214459 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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