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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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

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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) 4.00 9.21 -37.35 2 2 1 16 247.406 6 ↓

Analogs

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Popular Name: N-cyclohexyl-N-ethyl-N'-phenyl-propane-1,3-diamine N-cyclohexyl-N-ethyl-N'-phenyl-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) 4.38 9.57 -36.25 2 2 1 16 261.433 7 ↓

Analogs

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Popular Name: N-methyl-N-[(1S,3R)-3-methylcyclohexyl]-N'-phenyl-propane-1,3-diamine N-methyl-N-[(1S,3R)-3-methylcycl…

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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 9.81 -37.87 2 2 1 16 261.433 6 ↓

Analogs

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

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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 9.58 -37.74 2 2 1 16 261.433 6 ↓

Analogs

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

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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 9.57 -37.77 2 2 1 16 261.433 6 ↓

Analogs

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Popular Name: N-methyl-N-[(1R,3S)-3-methylcyclohexyl]-N'-phenyl-propane-1,3-diamine N-methyl-N-[(1R,3S)-3-methylcycl…

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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 9.81 -37.85 2 2 1 16 261.433 6 ↓

Analogs

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Popular Name: N'-cyclohexyl-N-(3-methoxyphenyl)-N-methyl-propane-1,3-diamine N'-cyclohexyl-N-(3-methoxyphenyl…

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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) 4.03 8.4 -43.25 2 3 1 29 277.432 7 ↓

Analogs

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Popular Name: N'-cyclohexyl-N-methyl-N-(m-tolyl)propane-1,3-diamine N'-cyclohexyl-N-methyl-N-(m-toly…

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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) 4.42 9.78 -40.62 2 2 1 20 261.433 6 ↓

Analogs

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Popular Name: N'-cyclohexyl-N-methyl-N-(p-tolyl)propane-1,3-diamine N'-cyclohexyl-N-methyl-N-(p-toly…

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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) 4.45 9.79 -40.51 2 2 1 20 261.433 6 ↓
Lo Low (pH 4.5-6) 4.45 10.22 -121.14 3 2 0 21 262.441 6 ↓

Analogs

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Popular Name: N'-cyclohexyl-N-(2-methoxyphenyl)-N-methyl-propane-1,3-diamine N'-cyclohexyl-N-(2-methoxyphenyl…

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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 8.98 -36.93 2 3 1 29 277.432 7 ↓

Analogs

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Popular Name: N'-cyclohexyl-N-methyl-N-(o-tolyl)propane-1,3-diamine N'-cyclohexyl-N-methyl-N-(o-toly…

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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) 4.40 10.56 -38.09 2 2 1 20 261.433 6 ↓
Lo Low (pH 4.5-6) 4.40 10.36 -103.98 3 2 2 21 262.441 6 ↓

Analogs

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Popular Name: N'-cyclohexyl-N-(4-methoxyphenyl)-N-methyl-propane-1,3-diamine N'-cyclohexyl-N-(4-methoxyphenyl…

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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) 4.06 8.4 -42.36 2 3 1 29 277.432 7 ↓
Lo Low (pH 4.5-6) 4.06 8.84 -125.38 3 3 0 30 278.44 7 ↓

Analogs

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Popular Name: N-methyl-N-[(1S,2R)-2-methylcyclohexyl]-N'-phenyl-propane-1,3-diamine N-methyl-N-[(1S,2R)-2-methylcycl…

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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) 4.24 9.67 -36.98 2 2 1 16 261.433 6 ↓

Analogs

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Popular Name: N-methyl-N-[(1S,2S)-2-methylcyclohexyl]-N'-phenyl-propane-1,3-diamine N-methyl-N-[(1S,2S)-2-methylcycl…

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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) 4.24 9.64 -36.99 2 2 1 16 261.433 6 ↓

Analogs

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Popular Name: N-methyl-N-[(1R,2R)-2-methylcyclohexyl]-N'-phenyl-propane-1,3-diamine N-methyl-N-[(1R,2R)-2-methylcycl…

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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) 4.24 9.62 -36.95 2 2 1 16 261.433 6 ↓

Analogs

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Popular Name: N-methyl-N-[(1R,2S)-2-methylcyclohexyl]-N'-phenyl-propane-1,3-diamine N-methyl-N-[(1R,2S)-2-methylcycl…

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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) 4.24 9.66 -36.93 2 2 1 16 261.433 6 ↓

Analogs

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Popular Name: N-methyl-N-(4-methylcyclohexyl)-N'-phenyl-propane-1,3-diamine N-methyl-N-(4-methylcyclohexyl)-…

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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) 3.77 9.6 -38 2 2 1 16 261.433 6 ↓

Analogs

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Popular Name: 4-[3-(cyclohexylamino)propylamino]-N,N-diethyl-3-nitro-benzenesulfonamide 4-[3-(cyclohexylamino)propylamin…

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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) 3.71 8.05 -55.46 3 8 1 112 413.564 11 ↓

Analogs

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Popular Name: N-tert-butyl-4-[3-(cyclohexylamino)propylamino]-3-nitro-benzenesulfonamide N-tert-butyl-4-[3-(cyclohexylami…

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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 6.27 -56.77 4 8 1 121 413.564 10 ↓

Analogs

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Popular Name: (1S,2R)-2-[3-(N-methylanilino)propylamino]cyclohexanecarbonitrile (1S,2R)-2-[3-(N-methylanilino)pr…

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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 9.12 -51.94 2 3 1 44 272.416 6 ↓
Hi High (pH 8-9.5) 3.65 8.04 -10.13 1 3 0 39 271.408 6 ↓

Analogs

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Popular Name: (1S,2S)-2-[3-(N-methylanilino)propylamino]cyclohexanecarbonitrile (1S,2S)-2-[3-(N-methylanilino)pr…

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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 9.33 -47.36 2 3 1 44 272.416 6 ↓
Hi High (pH 8-9.5) 3.65 8.31 -8.4 1 3 0 39 271.408 6 ↓

Analogs

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

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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) 3.23 8.1 -43.76 2 3 1 29 277.432 7 ↓

Analogs

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

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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) 3.23 8.25 -40.77 2 3 1 29 277.432 7 ↓

Analogs

37876001
37876001
37876002
37876002

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Popular Name: N'-[(1R,2S)-2-methoxycyclohexyl]-N-methyl-N-phenyl-propane-1,3-diamine N'-[(1R,2S)-2-methoxycyclohexyl]…

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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) 3.47 8.37 -40.71 2 3 1 29 277.432 7 ↓

Analogs

37876001
37876001
37876002
37876002

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

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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) 3.47 8.24 -38.96 2 3 1 29 277.432 7 ↓

Analogs

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Popular Name: (1S,2R)-2-[3-(N-methylanilino)propylamino]cyclohexanol (1S,2R)-2-[3-(N-methylanilino)pr…

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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) 2.85 6.02 -39.67 3 3 1 40 263.405 6 ↓

Analogs

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Popular Name: (1S,2S)-2-[3-(N-methylanilino)propylamino]cyclohexanol (1S,2S)-2-[3-(N-methylanilino)pr…

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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) 2.85 5.9 -38.4 3 3 1 40 263.405 6 ↓

Parameters Provided:

ring.id = 68833
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 = 68833 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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