UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20373096
20373096
22188762
22188762
23307740
23307740
14226944
14226944

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Popular Name: 4-[[(6-morpholino-3-pyridyl)amino]methyl]phenol 4-[[(6-morpholino-3-pyridyl)amin…

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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) 1.93 4.02 -32.11 3 5 1 59 286.355 4 ↓

Analogs

20374972
20374972

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Popular Name: N-[(2-chlorophenyl)methyl]-6-morpholino-pyridin-3-amine N-[(2-chlorophenyl)methyl]-6-mor…

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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) 3.04 7.29 -28.76 2 4 1 39 304.801 4 ↓

Analogs

20372907
20372907
20372847
20372847
20372784
20372784
20372081
20372081

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Popular Name: N-[(4-bromophenyl)methyl]-6-morpholino-pyridin-3-amine N-[(4-bromophenyl)methyl]-6-morp…

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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) 3.22 7.5 -31.87 2 4 1 39 349.252 4 ↓

Analogs

20219044
20219044

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Popular Name: N-[(4-chlorophenyl)methyl]-6-morpholino-pyridin-3-amine N-[(4-chlorophenyl)methyl]-6-mor…

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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) 3.09 7.39 -31.76 2 4 1 39 304.801 4 ↓

Analogs

20219255
20219255

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Popular Name: N-[(4-fluorophenyl)methyl]-6-morpholino-pyridin-3-amine N-[(4-fluorophenyl)methyl]-6-mor…

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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) 2.58 6.94 -32.66 2 4 1 39 288.346 4 ↓

Analogs

20372847
20372847
20372907
20372907
20372784
20372784

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Popular Name: N-[(3-bromophenyl)methyl]-6-morpholino-pyridin-3-amine N-[(3-bromophenyl)methyl]-6-morp…

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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 7.49 -31.07 2 4 1 39 349.252 4 ↓

Analogs

20372664
20372664
22189503
22189503
22995094
22995094

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Popular Name: N-[(3-fluorophenyl)methyl]-6-morpholino-pyridin-3-amine N-[(3-fluorophenyl)methyl]-6-mor…

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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) 2.55 6.94 -31.9 2 4 1 39 288.346 4 ↓

Analogs

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Popular Name: 6-morpholino-N-(o-tolylmethyl)pyridin-3-amine 6-morpholino-N-(o-tolylmethyl)py…

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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) 2.81 7.59 -29.71 2 4 1 39 284.383 4 ↓

Analogs

20219046
20219046

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Popular Name: 6-morpholino-N-(p-tolylmethyl)pyridin-3-amine 6-morpholino-N-(p-tolylmethyl)py…

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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) 2.86 7.55 -29.27 2 4 1 39 284.383 4 ↓

Analogs

14246010
14246010
20372484
20372484
20373329
20373329
20372081
20372081

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Popular Name: 6-morpholino-N-(m-tolylmethyl)pyridin-3-amine 6-morpholino-N-(m-tolylmethyl)py…

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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) 2.84 7.54 -29.3 2 4 1 39 284.383 4 ↓

Analogs

23307740
23307740
23307717
23307717
20372971
20372971
20373096
20373096

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Popular Name: 2-[[(6-morpholino-3-pyridyl)amino]methyl]phenol 2-[[(6-morpholino-3-pyridyl)amin…

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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) 2.35 4.07 -30.88 3 5 1 59 286.355 4 ↓

Analogs

20372081
20372081
20219046
20219046

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Popular Name: N-benzyl-6-morpholino-pyridin-3-amine N-benzyl-6-morpholino-pyridin-3-…

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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) 2.41 6.87 -29.26 2 4 1 39 270.356 4 ↓

Analogs

48353488
48353488
20373033
20373033
20373145
20373145
24903762
24903762
23307717
23307717

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Popular Name: 3-[[(6-morpholino-3-pyridyl)amino]methyl]phenol 3-[[(6-morpholino-3-pyridyl)amin…

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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) 1.91 4.02 -32.08 3 5 1 59 286.355 4 ↓

Analogs

20372784
20372784
20372907
20372907
20372847
20372847
14253719
14253719

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Popular Name: N-[(2-bromophenyl)methyl]-6-morpholino-pyridin-3-amine N-[(2-bromophenyl)methyl]-6-morp…

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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) 3.17 7.38 -28.76 2 4 1 39 349.252 4 ↓

Analogs

20375020
20375020
20373204
20373204
20219044
20219044

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Popular Name: N-[(3-chlorophenyl)methyl]-6-morpholino-pyridin-3-amine N-[(3-chlorophenyl)methyl]-6-mor…

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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) 3.07 7.38 -31.06 2 4 1 39 304.801 4 ↓

Analogs

24032568
24032568
20373450
20373450
20372081
20372081
22994788
22994788

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Popular Name: 6-morpholino-N-[(1S)-1-phenylethyl]pyridin-3-amine 6-morpholino-N-[(1S)-1-phenyleth…

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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) 2.97 7.6 -29.84 2 4 1 39 284.383 4 ↓
Hi High (pH 8-9.5) 2.97 7.23 -6.22 1 4 0 37 283.375 4 ↓

Analogs

24032568
24032568
20373450
20373450
20372081
20372081
22994788
22994788

Draw Identity 99% 90% 80% 70%

Popular Name: 6-morpholino-N-[(1R)-1-phenylethyl]pyridin-3-amine 6-morpholino-N-[(1R)-1-phenyleth…

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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) 2.97 7.6 -29.85 2 4 1 39 284.383 4 ↓
Hi High (pH 8-9.5) 2.97 7.23 -6.22 1 4 0 37 283.375 4 ↓

Analogs

20372604
20372604
20414168
20414168

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Popular Name: N-[(2-fluorophenyl)methyl]-6-morpholino-pyridin-3-amine N-[(2-fluorophenyl)methyl]-6-mor…

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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) 2.53 6.9 -29.21 2 4 1 39 288.346 4 ↓

Parameters Provided:

ring.id = 136123
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 = 136123 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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