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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: (1R,2S)-N1,N2-bis[(2,4-dichlorophenyl)methyl]cyclohexane-1,2-diamine (1R,2S)-N1,N2-bis[(2,4-dichlorop…

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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) 6.63 11.53 -40.97 3 2 1 29 433.23 6 ↓
Hi High (pH 8-9.5) 6.63 10.86 -3.35 2 2 0 24 432.222 6 ↓
Lo Low (pH 4.5-6) 6.63 12.67 -128.3 4 2 2 33 434.238 6 ↓

Analogs

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Popular Name: (1S,2S)-N1,N2-bis[(2,4-dichlorophenyl)methyl]cyclohexane-1,2-diamine (1S,2S)-N1,N2-bis[(2,4-dichlorop…

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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) 6.63 11.43 -43.68 3 2 1 29 433.23 6 ↓
Hi High (pH 8-9.5) 6.63 10.34 -2.86 2 2 0 24 432.222 6 ↓
Lo Low (pH 4.5-6) 6.63 12.63 -125.4 4 2 2 33 434.238 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N1,N2-bis[(2,4-dichlorophenyl)methyl]cyclohexane-1,2-diamine (1R,2R)-N1,N2-bis[(2,4-dichlorop…

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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) 6.63 11.52 -36.47 3 2 1 29 433.23 6 ↓
Hi High (pH 8-9.5) 6.63 10.34 -2.95 2 2 0 24 432.222 6 ↓
Lo Low (pH 4.5-6) 6.63 12.63 -125.77 4 2 2 33 434.238 6 ↓

Analogs

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Popular Name: (1R,2S)-N1,N2-dibenzylcyclohexane-1,2-diamine (1R,2S)-N1,N2-dibenzylcyclohexan…

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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) 4.07 9.79 -37.12 3 2 1 29 295.45 6 ↓
Lo Low (pH 4.5-6) 4.07 10.91 -125.69 4 2 2 33 296.458 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N1,N2-bis(o-tolylmethyl)cyclohexane-1,2-diamine (1R,2S)-N1,N2-bis(o-tolylmethyl)…

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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) 4.87 11.2 -37.03 3 2 1 29 323.504 6 ↓
Lo Low (pH 4.5-6) 4.87 12.13 -125.35 4 2 2 33 324.512 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N1,N2-bis(o-tolylmethyl)cyclohexane-1,2-diamine (1S,2S)-N1,N2-bis(o-tolylmethyl)…

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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) 4.87 10.91 -39.38 3 2 1 29 323.504 6 ↓
Lo Low (pH 4.5-6) 4.87 11.92 -127.39 4 2 2 33 324.512 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N1,N2-bis(o-tolylmethyl)cyclohexane-1,2-diamine (1R,2R)-N1,N2-bis(o-tolylmethyl)…

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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) 4.87 11.02 -37.39 3 2 1 29 323.504 6 ↓
Lo Low (pH 4.5-6) 4.87 11.92 -126.78 4 2 2 33 324.512 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N1,N2-bis(m-tolylmethyl)cyclohexane-1,2-diamine (1R,2S)-N1,N2-bis(m-tolylmethyl)…

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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) 4.92 11.12 -37.19 3 2 1 29 323.504 6 ↓
Lo Low (pH 4.5-6) 4.92 12.24 -126.6 4 2 2 33 324.512 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N1,N2-bis(m-tolylmethyl)cyclohexane-1,2-diamine (1S,2S)-N1,N2-bis(m-tolylmethyl)…

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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) 4.92 10.84 -40.19 3 2 1 29 323.504 6 ↓
Lo Low (pH 4.5-6) 4.92 12.02 -128.38 4 2 2 33 324.512 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N1,N2-bis(m-tolylmethyl)cyclohexane-1,2-diamine (1R,2R)-N1,N2-bis(m-tolylmethyl)…

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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) 4.92 10.94 -37.03 3 2 1 29 323.504 6 ↓
Lo Low (pH 4.5-6) 4.92 12.02 -128.38 4 2 2 33 324.512 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N1,N2-bis(p-tolylmethyl)cyclohexane-1,2-diamine (1R,2S)-N1,N2-bis(p-tolylmethyl)…

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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) 4.96 11.14 -37.12 3 2 1 29 323.504 6 ↓
Lo Low (pH 4.5-6) 4.96 12.26 -125.93 4 2 2 33 324.512 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N1,N2-bis(p-tolylmethyl)cyclohexane-1,2-diamine (1S,2S)-N1,N2-bis(p-tolylmethyl)…

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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) 4.96 10.86 -40.1 3 2 1 29 323.504 6 ↓
Lo Low (pH 4.5-6) 4.96 12.04 -127.77 4 2 2 33 324.512 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N1,N2-bis(p-tolylmethyl)cyclohexane-1,2-diamine (1R,2R)-N1,N2-bis(p-tolylmethyl)…

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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) 4.96 10.96 -36.97 3 2 1 29 323.504 6 ↓
Lo Low (pH 4.5-6) 4.96 12.04 -127.72 4 2 2 33 324.512 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N1,N2-bis[(4-ethylphenyl)methyl]cyclohexane-1,2-diamine (1R,2S)-N1,N2-bis[(4-ethylphenyl…

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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) 5.90 12.67 -36.96 3 2 1 29 351.558 8 ↓
Lo Low (pH 4.5-6) 5.90 13.79 -126.3 4 2 2 33 352.566 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N1,N2-bis[(4-ethylphenyl)methyl]cyclohexane-1,2-diamine (1S,2S)-N1,N2-bis[(4-ethylphenyl…

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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) 5.90 12.4 -40 3 2 1 29 351.558 8 ↓
Lo Low (pH 4.5-6) 5.90 13.57 -128.2 4 2 2 33 352.566 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N1,N2-bis[(4-ethylphenyl)methyl]cyclohexane-1,2-diamine (1R,2R)-N1,N2-bis[(4-ethylphenyl…

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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) 5.90 12.49 -36.78 3 2 1 29 351.558 8 ↓
Lo Low (pH 4.5-6) 5.90 13.57 -128.18 4 2 2 33 352.566 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N1,N2-bis[[4-(trifluoromethyl)phenyl]methyl]cyclohexane-1,2-diamine (1S,2S)-N1,N2-bis[[4-(trifluorom…

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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) 5.86 11.52 -52.97 3 2 1 29 431.444 8 ↓
Hi High (pH 8-9.5) 5.86 10.46 -3.88 2 2 0 24 430.436 8 ↓
Lo Low (pH 4.5-6) 5.86 12.7 -150.45 4 2 2 33 432.452 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N1,N2-bis[[2,4-bis(trifluoromethyl)phenyl]methyl]cyclohexane-1,2-diamine (1R,2S)-N1,N2-bis[[2,4-bis(trifl…

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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) 7.50 14.34 -48.53 3 2 1 29 567.438 10 ↓
Mid Mid (pH 6-8) 7.50 13.78 -4.99 2 2 0 24 566.43 10 ↓
Lo Low (pH 4.5-6) 7.50 15.07 -161.72 4 2 2 33 568.446 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N1,N2-bis[[2,4-bis(trifluoromethyl)phenyl]methyl]cyclohexane-1,2-diamine (1S,2S)-N1,N2-bis[[2,4-bis(trifl…

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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) 7.50 14.07 -59.6 3 2 1 29 567.438 10 ↓
Mid Mid (pH 6-8) 7.50 13.38 -6.07 2 2 0 24 566.43 10 ↓
Lo Low (pH 4.5-6) 7.50 14.87 -164.87 4 2 2 33 568.446 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N1,N2-bis[[2,4-bis(trifluoromethyl)phenyl]methyl]cyclohexane-1,2-diamine (1R,2R)-N1,N2-bis[[2,4-bis(trifl…

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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) 7.50 14.17 -42.7 3 2 1 29 567.438 10 ↓
Mid Mid (pH 6-8) 7.50 13.47 -6.4 2 2 0 24 566.43 10 ↓
Lo Low (pH 4.5-6) 7.50 14.85 -165.05 4 2 2 33 568.446 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N1,N2-bis[[2,5-bis(trifluoromethyl)phenyl]methyl]cyclohexane-1,2-diamine (1R,2S)-N1,N2-bis[[2,5-bis(trifl…

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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) 7.50 14.31 -41.74 3 2 1 29 567.438 10 ↓
Mid Mid (pH 6-8) 7.50 13.77 -3.88 2 2 0 24 566.43 10 ↓
Lo Low (pH 4.5-6) 7.50 15.07 -140.51 4 2 2 33 568.446 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N1,N2-bis[[2,5-bis(trifluoromethyl)phenyl]methyl]cyclohexane-1,2-diamine (1S,2S)-N1,N2-bis[[2,5-bis(trifl…

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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) 7.50 14.03 -47.46 3 2 1 29 567.438 10 ↓
Mid Mid (pH 6-8) 7.50 13.4 -4.26 2 2 0 24 566.43 10 ↓
Lo Low (pH 4.5-6) 7.50 14.84 -142.29 4 2 2 33 568.446 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N1,N2-bis[[2,5-bis(trifluoromethyl)phenyl]methyl]cyclohexane-1,2-diamine (1R,2R)-N1,N2-bis[[2,5-bis(trifl…

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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) 7.50 14.14 -37.21 3 2 1 29 567.438 10 ↓
Mid Mid (pH 6-8) 7.50 13.46 -4.27 2 2 0 24 566.43 10 ↓
Lo Low (pH 4.5-6) 7.50 14.84 -142.71 4 2 2 33 568.446 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N1,N2-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine (1R,2S)-N1,N2-bis[(4-methoxyphen…

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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) 4.18 8.39 -42.35 3 4 1 47 355.502 8 ↓
Lo Low (pH 4.5-6) 4.18 9.51 -133.5 4 4 2 52 356.51 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N1,N2-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine (1S,2S)-N1,N2-bis[(4-methoxyphen…

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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) 4.18 8.11 -45.6 3 4 1 47 355.502 8 ↓
Lo Low (pH 4.5-6) 4.18 9.29 -135.06 4 4 2 52 356.51 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N1,N2-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine (1R,2R)-N1,N2-bis[(4-methoxyphen…

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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) 4.18 8.2 -42.7 3 4 1 47 355.502 8 ↓
Lo Low (pH 4.5-6) 4.18 9.29 -135.41 4 4 2 52 356.51 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N1,N2-bis[(4-bromophenyl)methyl]cyclohexane-1,2-diamine (1S,2S)-N1,N2-bis[(4-bromophenyl…

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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) 5.68 10.76 -47.96 3 2 1 29 453.242 6 ↓
Lo Low (pH 4.5-6) 5.68 11.94 -142.18 4 2 2 33 454.25 6 ↓

Parameters Provided:

ring.id = 465804
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 465804 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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