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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N1-[3-[benzyl(methyl)amino]propyl]-4-methyl-benzene-1,3-diamine N1-[3-[benzyl(methyl)amino]propy…

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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) 3.35 8.4 -40.94 4 3 1 42 284.427 7 ↓
Hi High (pH 8-9.5) 3.35 6.08 -4.5 3 3 0 41 283.419 7 ↓

Analogs

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Popular Name: N-[(1R)-1-(3-chlorophenyl)ethyl]-N'-methyl-N'-phenyl-propane-1,3-diamine N-[(1R)-1-(3-chlorophenyl)ethyl]…

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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) 4.71 10.96 -47.4 2 2 1 20 303.857 7 ↓

Analogs

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Popular Name: N-[(1S)-1-(3-chlorophenyl)ethyl]-N'-methyl-N'-phenyl-propane-1,3-diamine N-[(1S)-1-(3-chlorophenyl)ethyl]…

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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) 4.71 10.96 -45.38 2 2 1 20 303.857 7 ↓

Analogs

43476707
43476707

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Popular Name: N'-[(3-chlorophenyl)methyl]-N-methyl-N-phenyl-propane-1,3-diamine N'-[(3-chlorophenyl)methyl]-N-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) 4.15 10.19 -48.05 2 2 1 20 289.83 7 ↓

Analogs

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Popular Name: N-benzyl-N-methyl-N'-phenyl-propane-1,3-diamine N-benzyl-N-methyl-N'-phenyl-prop…

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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) 3.49 9.75 -40.77 2 2 1 16 255.385 7 ↓
Hi High (pH 8-9.5) 3.49 7.42 -3.66 1 2 0 15 254.377 7 ↓

Analogs

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Popular Name: N-methyl-N'-phenyl-N-(p-tolylmethyl)propane-1,3-diamine N-methyl-N'-phenyl-N-(p-tolylmet…

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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) 3.94 10.42 -40.78 2 2 1 16 269.412 7 ↓

Analogs

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Popular Name: N-[(3-fluorophenyl)methyl]-N-methyl-N'-phenyl-propane-1,3-diamine N-[(3-fluorophenyl)methyl]-N-met…

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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) 3.63 9.82 -44.94 2 2 1 16 273.375 7 ↓
Hi High (pH 8-9.5) 3.63 7.49 -4.56 1 2 0 15 272.367 7 ↓

Analogs

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Popular Name: N-benzyl-N-ethyl-N'-phenyl-propane-1,3-diamine N-benzyl-N-ethyl-N'-phenyl-propa…

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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) 3.87 10.45 -38.79 2 2 1 16 269.412 8 ↓

Analogs

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Popular Name: N-[(3-chlorophenyl)methyl]-N-methyl-N'-phenyl-propane-1,3-diamine N-[(3-chlorophenyl)methyl]-N-met…

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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) 4.15 10.27 -43.96 2 2 1 16 289.83 7 ↓
Hi High (pH 8-9.5) 4.15 7.93 -3.92 1 2 0 15 288.822 7 ↓

Analogs

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Popular Name: N-[(4-methoxyphenyl)methyl]-N-methyl-N'-phenyl-propane-1,3-diamine N-[(4-methoxyphenyl)methyl]-N-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) 3.55 9.05 -43.88 2 3 1 26 285.411 8 ↓

Analogs

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Popular Name: N-[(2-methoxyphenyl)methyl]-N-methyl-N'-phenyl-propane-1,3-diamine N-[(2-methoxyphenyl)methyl]-N-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) 3.50 9.33 -37.46 2 3 1 26 285.411 8 ↓
Hi High (pH 8-9.5) 3.50 6.98 -4.84 1 3 0 24 284.403 8 ↓

Analogs

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Popular Name: N-[(3-bromophenyl)methyl]-N-methyl-N'-phenyl-propane-1,3-diamine N-[(3-bromophenyl)methyl]-N-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) 4.28 10.38 -44.05 2 2 1 16 334.281 7 ↓
Hi High (pH 8-9.5) 4.28 8.03 -3.91 1 2 0 15 333.273 7 ↓

Analogs

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Popular Name: N-[(2-bromophenyl)methyl]-N-methyl-N'-phenyl-propane-1,3-diamine N-[(2-bromophenyl)methyl]-N-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) 4.25 10.37 -37.36 2 2 1 16 334.281 7 ↓
Hi High (pH 8-9.5) 4.25 8.19 -4.02 1 2 0 15 333.273 7 ↓

Analogs

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Popular Name: N-[(2-fluorophenyl)methyl]-N-methyl-N'-phenyl-propane-1,3-diamine N-[(2-fluorophenyl)methyl]-N-met…

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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) 3.61 9.64 -39.08 2 2 1 16 273.375 7 ↓
Hi High (pH 8-9.5) 3.61 7.31 -4.8 1 2 0 15 272.367 7 ↓

Analogs

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Popular Name: N-methyl-N-(o-tolylmethyl)-N'-phenyl-propane-1,3-diamine N-methyl-N-(o-tolylmethyl)-N'-ph…

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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) 3.90 10.38 -40.67 2 2 1 16 269.412 7 ↓
Hi High (pH 8-9.5) 3.90 8.13 -3.65 1 2 0 15 268.404 7 ↓

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-N-methyl-N'-phenyl-propane-1,3-diamine N-[(2-chlorophenyl)methyl]-N-met…

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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) 4.12 10.27 -37.6 2 2 1 16 289.83 7 ↓
Hi High (pH 8-9.5) 4.12 8.01 -4.09 1 2 0 15 288.822 7 ↓

Analogs

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Popular Name: N-[(4-bromophenyl)methyl]-N-methyl-N'-phenyl-propane-1,3-diamine N-[(4-bromophenyl)methyl]-N-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) 4.30 10.37 -45.61 2 2 1 16 334.281 7 ↓
Hi High (pH 8-9.5) 4.30 8.04 -3.79 1 2 0 15 333.273 7 ↓

Analogs

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Popular Name: N-[(3-methoxyphenyl)methyl]-N-methyl-N'-phenyl-propane-1,3-diamine N-[(3-methoxyphenyl)methyl]-N-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) 3.53 9.05 -42.18 2 3 1 26 285.411 8 ↓
Hi High (pH 8-9.5) 3.53 6.72 -5.21 1 3 0 24 284.403 8 ↓

Analogs

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Popular Name: N-[(4-fluorophenyl)methyl]-N-methyl-N'-phenyl-propane-1,3-diamine N-[(4-fluorophenyl)methyl]-N-met…

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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) 3.66 9.81 -46.41 2 2 1 16 273.375 7 ↓
Hi High (pH 8-9.5) 3.66 7.49 -4.43 1 2 0 15 272.367 7 ↓

Analogs

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Popular Name: N-methyl-N-(m-tolylmethyl)-N'-phenyl-propane-1,3-diamine N-methyl-N-(m-tolylmethyl)-N'-ph…

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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) 3.92 10.42 -40.88 2 2 1 16 269.412 7 ↓
Hi High (pH 8-9.5) 3.92 8.08 -3.71 1 2 0 15 268.404 7 ↓

Analogs

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Popular Name: 4-[3-[benzyl(methyl)amino]propylamino]-N-methyl-3-nitro-benzamide 4-[3-[benzyl(methyl)amino]propyl…

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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) 2.57 8.99 -60.51 3 7 1 91 357.434 9 ↓
Hi High (pH 8-9.5) 2.57 6.66 -17.38 2 7 0 90 356.426 9 ↓

Analogs

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Popular Name: 2-bromo-4-[[3-(N-methylanilino)propylamino]methyl]phenol 2-bromo-4-[[3-(N-methylanilino)p…

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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) 4.01 7.53 -51.36 3 3 1 40 350.28 7 ↓
Hi High (pH 8-9.5) 4.01 8.29 -63.88 2 3 0 43 349.272 7 ↓

Analogs

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Popular Name: 2-bromo-6-[[3-(N-methylanilino)propylamino]methyl]phenol 2-bromo-6-[[3-(N-methylanilino)p…

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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) 3.99 7.61 -46.73 3 3 1 40 350.28 7 ↓
Hi High (pH 8-9.5) 3.99 8.36 -35.77 2 3 0 43 349.272 7 ↓

Analogs

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Popular Name: N-[(1S)-1-(4-iodophenyl)ethyl]-N'-methyl-N'-phenyl-propane-1,3-diamine N-[(1S)-1-(4-iodophenyl)ethyl]-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) 5.14 11.45 -47.35 2 2 1 20 395.308 7 ↓

Analogs

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Popular Name: N-[(1R)-1-(4-iodophenyl)ethyl]-N'-methyl-N'-phenyl-propane-1,3-diamine N-[(1R)-1-(4-iodophenyl)ethyl]-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) 5.14 11.45 -47.14 2 2 1 20 395.308 7 ↓

Analogs

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Popular Name: N'-methyl-N-[(1R)-1-(m-tolyl)ethyl]-N'-phenyl-propane-1,3-diamine N'-methyl-N-[(1R)-1-(m-tolyl)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) 4.48 11.01 -42.73 2 2 1 20 283.439 7 ↓

Analogs

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Popular Name: N'-methyl-N-[(1S)-1-(m-tolyl)ethyl]-N'-phenyl-propane-1,3-diamine N'-methyl-N-[(1S)-1-(m-tolyl)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) 4.48 11 -42.84 2 2 1 20 283.439 7 ↓

Analogs

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Popular Name: N'-[(2,5-difluorophenyl)methyl]-N-methyl-N-phenyl-propane-1,3-diamine N'-[(2,5-difluorophenyl)methyl]-…

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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) 3.75 9.82 -45.15 2 2 1 20 291.365 7 ↓
Hi High (pH 8-9.5) 3.75 8.45 -5.14 1 2 0 15 290.357 7 ↓

Parameters Provided:

ring.id = 5622
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 5622 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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