UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37779730
37779730
37779735
37779735
49340796
49340796

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Popular Name: N-cyclopropyl-4-[(4-methylcyclohexyl)amino]benzamide N-cyclopropyl-4-[(4-methylcycloh…

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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) 3.70 7.29 -8.26 2 3 0 41 272.392 4 ↓

Analogs

37779730
37779730
37779735
37779735
49340796
49340796

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Popular Name: N-cyclopropyl-4-[(4-ethylcyclohexyl)amino]benzamide N-cyclopropyl-4-[(4-ethylcyclohe…

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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) 4.38 7.94 -8.23 2 3 0 41 286.419 5 ↓

Analogs

49340761
49340761
49340762
49340762

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Popular Name: N-cyclopropyl-4-[[(1S,2R)-2-methylcyclohexyl]amino]benzamide N-cyclopropyl-4-[[(1S,2R)-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) 4.17 7.76 -8.07 2 3 0 41 272.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-4-[[(1S,2S)-2-methylcyclohexyl]amino]benzamide N-cyclopropyl-4-[[(1S,2S)-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) 4.17 7.45 -8.17 2 3 0 41 272.392 4 ↓

Analogs

49340761
49340761
49340762
49340762

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-4-[[(1R,2R)-2-methylcyclohexyl]amino]benzamide N-cyclopropyl-4-[[(1R,2R)-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) 4.17 7.45 -8.15 2 3 0 41 272.392 4 ↓

Analogs

49340761
49340761
49340762
49340762

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-4-[[(1R,2S)-2-methylcyclohexyl]amino]benzamide N-cyclopropyl-4-[[(1R,2S)-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) 4.17 7.75 -8.05 2 3 0 41 272.392 4 ↓

Analogs

49341537
49341537
49341538
49341538

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Popular Name: N-cyclopropyl-4-[[(1S,3R)-3-methylcyclohexyl]amino]benzamide N-cyclopropyl-4-[[(1S,3R)-3-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) 3.93 7.3 -8.13 2 3 0 41 272.392 4 ↓

Analogs

49341537
49341537
49341538
49341538

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-4-[[(1S,3S)-3-methylcyclohexyl]amino]benzamide N-cyclopropyl-4-[[(1S,3S)-3-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) 3.93 7.6 -8.07 2 3 0 41 272.392 4 ↓

Analogs

49341537
49341537
49341538
49341538

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-4-[[(1R,3R)-3-methylcyclohexyl]amino]benzamide N-cyclopropyl-4-[[(1R,3R)-3-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) 3.93 7.6 -8.09 2 3 0 41 272.392 4 ↓

Analogs

37779743
37779743
37779744
37779744
37779745
37779745
37779746
37779746
49341537
49341537

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-4-[[(1R,3S)-3-methylcyclohexyl]amino]benzamide N-cyclopropyl-4-[[(1R,3S)-3-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) 3.93 7.29 -8.13 2 3 0 41 272.392 4 ↓

Analogs

49340761
49340761
49340762
49340762

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-4-[[(2S,6R)-2,6-dimethylcyclohexyl]amino]benzamide N-cyclopropyl-4-[[(2S,6R)-2,6-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) 4.41 8.26 -7.86 2 3 0 41 286.419 4 ↓

Analogs

49340761
49340761
49340762
49340762

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-4-[[(2S,6S)-2,6-dimethylcyclohexyl]amino]benzamide N-cyclopropyl-4-[[(2S,6S)-2,6-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) 4.41 7.92 -8.22 2 3 0 41 286.419 4 ↓

Analogs

49340761
49340761
49340762
49340762

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-4-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]benzamide N-cyclopropyl-4-[[(2R,6R)-2,6-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) 4.41 8.01 -8.19 2 3 0 41 286.419 4 ↓

Analogs

37779770
37779770
48369061
48369061
49340606
49340606
49340641
49340641
14399023
14399023

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Popular Name: 4-(cyclohexylamino)-N-cyclopropyl-benzamide 4-(cyclohexylamino)-N-cyclopropy…

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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) 3.93 6.69 -7.99 2 3 0 41 258.365 4 ↓

Analogs

37779803
37779803
37779804
37779804
37779805
37779805
37779806
37779806

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-4-[[(1S,2R)-2-methoxycyclohexyl]amino]benzamide N-cyclopropyl-4-[[(1S,2R)-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) 3.39 6.04 -8.89 2 4 0 50 288.391 5 ↓

Analogs

37779803
37779803
37779804
37779804
37779805
37779805
37779806
37779806

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-4-[[(1S,2S)-2-methoxycyclohexyl]amino]benzamide N-cyclopropyl-4-[[(1S,2S)-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) 3.39 5.74 -9.34 2 4 0 50 288.391 5 ↓

Analogs

37779803
37779803
37779804
37779804
37779805
37779805
37779806
37779806

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-4-[[(1R,2R)-2-methoxycyclohexyl]amino]benzamide N-cyclopropyl-4-[[(1R,2R)-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) 3.39 5.74 -9.39 2 4 0 50 288.391 5 ↓

Analogs

37779803
37779803
37779804
37779804
37779805
37779805
37779806
37779806

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-4-[[(1R,2S)-2-methoxycyclohexyl]amino]benzamide N-cyclopropyl-4-[[(1R,2S)-2-meth…

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Activity (Go SEA)

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) 3.39 6.04 -8.86 2 4 0 50 288.391 5 ↓

Parameters Provided:

ring.id = 128260
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 = 128260 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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