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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-ethyl-N-(m-tolyl)-N'-phenyl-ethane-1,2-diamine N-ethyl-N-(m-tolyl)-N'-phenyl-et…

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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) 4.32 9.4 -4.12 1 2 0 15 254.377 6 ↓

Analogs

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Popular Name: 1,2-ethanediamine, N'-(4-fluorophenyl)-N-methyl-N-phenyl- 1,2-ethanediamine, N'-(4-fluorop…

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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) 3.69 7.85 -5.17 1 2 0 15 244.313 5 ↓
Lo Low (pH 4.5-6) 3.69 8.3 -22.44 2 2 0 16 245.321 5 ↓

Analogs

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Popular Name: N'-(2-bromophenyl)-N-methyl-N-phenyl-ethane-1,2-diamine N'-(2-bromophenyl)-N-methyl-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) 4.28 8.5 -3.8 1 2 0 15 305.219 5 ↓
Lo Low (pH 4.5-6) 4.28 8.95 -21.05 2 2 0 16 306.227 5 ↓

Analogs

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Popular Name: 1,2-ethanediamine, N'-(2-chlorophenyl)-N-methyl-N-phenyl- 1,2-ethanediamine, N'-(2-chlorop…

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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 8.38 -3.87 1 2 0 15 260.768 5 ↓
Lo Low (pH 4.5-6) 4.15 8.82 -20.99 2 2 0 16 261.776 5 ↓

Analogs

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Popular Name: 1,2-ethanediamine, N-methyl-N'-(3-methylphenyl)-N-phenyl- 1,2-ethanediamine, N-methyl-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) 3.95 8.45 -4.38 1 2 0 15 240.35 5 ↓
Lo Low (pH 4.5-6) 3.95 8.89 -19.87 2 2 0 16 241.358 5 ↓

Analogs

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Popular Name: 1,2-ethanediamine, N-methyl-N'-(4-methylphenyl)-N-phenyl- 1,2-ethanediamine, N-methyl-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) 3.97 8.47 -4.35 1 2 0 15 240.35 5 ↓
Lo Low (pH 4.5-6) 3.97 8.9 -19.81 2 2 0 16 241.358 5 ↓

Analogs

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Popular Name: 1,2-ethanediamine, N'-(4-chlorophenyl)-N-methyl-N-phenyl- 1,2-ethanediamine, N'-(4-chlorop…

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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) 4.20 8.3 -4.37 1 2 0 15 260.768 5 ↓
Lo Low (pH 4.5-6) 4.20 8.75 -21.46 2 2 0 16 261.776 5 ↓

Analogs

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Popular Name: 1,2-ethanediamine, N'-(2-fluorophenyl)-N-methyl-N-phenyl- 1,2-ethanediamine, N'-(2-fluorop…

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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) 3.64 7.88 -4.53 1 2 0 15 244.313 5 ↓
Lo Low (pH 4.5-6) 3.64 8.32 -21.84 2 2 0 16 245.321 5 ↓

Analogs

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Popular Name: 1,2-ethanediamine, N'-(3-chlorophenyl)-N-methyl-N-phenyl- 1,2-ethanediamine, N'-(3-chlorop…

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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 8.3 -4.13 1 2 0 15 260.768 5 ↓
Lo Low (pH 4.5-6) 4.18 8.75 -21.68 2 2 0 16 261.776 5 ↓

Analogs

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Popular Name: N'-(3-fluorophenyl)-N-methyl-N-phenyl-ethane-1,2-diamine N'-(3-fluorophenyl)-N-methyl-N-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) 3.66 7.85 -4.73 1 2 0 15 244.313 5 ↓
Lo Low (pH 4.5-6) 3.66 8.3 -22.74 2 2 0 16 245.321 5 ↓

Analogs

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Popular Name: N'-(3-bromophenyl)-N-methyl-N-phenyl-ethane-1,2-diamine N'-(3-bromophenyl)-N-methyl-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) 4.31 8.41 -4.07 1 2 0 15 305.219 5 ↓
Lo Low (pH 4.5-6) 4.31 8.85 -21.67 2 2 0 16 306.227 5 ↓

Analogs

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Popular Name: N'-methyl-N-(o-tolyl)-N'-phenyl-ethane-1,2-diamine N'-methyl-N-(o-tolyl)-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) 3.92 8.59 -4.41 1 2 0 15 240.35 5 ↓
Lo Low (pH 4.5-6) 3.92 9.03 -19.81 2 2 0 16 241.358 5 ↓

Analogs

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Popular Name: N'-(4-bromophenyl)-N-methyl-N-phenyl-ethane-1,2-diamine N'-(4-bromophenyl)-N-methyl-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) 4.33 8.41 -4.42 1 2 0 15 305.219 5 ↓
Lo Low (pH 4.5-6) 4.33 8.85 -21.49 2 2 0 16 306.227 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2-ethanediamine, N-ethyl-N'-(4-fluorophenyl)-N-phenyl- 1,2-ethanediamine, N-ethyl-N'-(4…

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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 8.8 -4.91 1 2 0 15 258.34 6 ↓
Lo Low (pH 4.5-6) 4.06 8.88 -23.44 2 2 0 16 259.348 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2-ethanediamine, N-ethyl-N'-(3-methylphenyl)-N-phenyl- 1,2-ethanediamine, N-ethyl-N'-(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) 4.32 9.4 -4.13 1 2 0 15 254.377 6 ↓
Lo Low (pH 4.5-6) 4.32 9.48 -21.59 2 2 0 16 255.385 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2-ethanediamine, N-ethyl-N'-(4-methylphenyl)-N-phenyl- 1,2-ethanediamine, N-ethyl-N'-(4…

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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) 4.35 9.41 -4.03 1 2 0 15 254.377 6 ↓
Lo Low (pH 4.5-6) 4.35 9.49 -21.54 2 2 0 16 255.385 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2-ethanediamine, N-ethyl-N'-(2-fluorophenyl)-N-phenyl- 1,2-ethanediamine, N-ethyl-N'-(2…

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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 8.82 -4.26 1 2 0 15 258.34 6 ↓
Lo Low (pH 4.5-6) 4.01 8.91 -20.85 2 2 0 16 259.348 6 ↓

Analogs

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Popular Name: N-ethyl-N'-(3-fluorophenyl)-N-phenyl-ethane-1,2-diamine N-ethyl-N'-(3-fluorophenyl)-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) 4.04 8.8 -4.5 1 2 0 15 258.34 6 ↓
Lo Low (pH 4.5-6) 4.04 8.88 -22.34 2 2 0 16 259.348 6 ↓

Analogs

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Popular Name: N-ethyl-N'-(o-tolyl)-N-phenyl-ethane-1,2-diamine N-ethyl-N'-(o-tolyl)-N-phenyl-et…

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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 9.53 -4.12 1 2 0 15 254.377 6 ↓
Lo Low (pH 4.5-6) 4.30 9.62 -21.69 2 2 0 16 255.385 6 ↓

Analogs

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Popular Name: N'-(4-fluorophenyl)-N-(3-methoxyphenyl)-N-methyl-ethane-1,2-diamine N'-(4-fluorophenyl)-N-(3-methoxy…

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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) 3.72 7.15 -6.84 1 3 0 24 274.339 6 ↓
Lo Low (pH 4.5-6) 3.72 7.6 -22.8 2 3 0 26 275.347 6 ↓

Analogs

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Popular Name: N'-(2-chlorophenyl)-N-(3-methoxyphenyl)-N-methyl-ethane-1,2-diamine N'-(2-chlorophenyl)-N-(3-methoxy…

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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 7.68 -5.33 1 3 0 24 290.794 6 ↓
Lo Low (pH 4.5-6) 4.18 8.12 -21.38 2 3 0 26 291.802 6 ↓

Analogs

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Popular Name: N'-(3-methoxyphenyl)-N'-methyl-N-(m-tolyl)ethane-1,2-diamine N'-(3-methoxyphenyl)-N'-methyl-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) 3.98 7.75 -5.94 1 3 0 24 270.376 6 ↓
Lo Low (pH 4.5-6) 3.98 8.19 -20.31 2 3 0 26 271.384 6 ↓

Analogs

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Popular Name: N'-(3-methoxyphenyl)-N'-methyl-N-(p-tolyl)ethane-1,2-diamine N'-(3-methoxyphenyl)-N'-methyl-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) 4.00 7.76 -5.88 1 3 0 24 270.376 6 ↓
Lo Low (pH 4.5-6) 4.00 8.2 -20.23 2 3 0 26 271.384 6 ↓

Analogs

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Popular Name: N'-(4-chlorophenyl)-N-(3-methoxyphenyl)-N-methyl-ethane-1,2-diamine N'-(4-chlorophenyl)-N-(3-methoxy…

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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) 4.23 7.6 -6.15 1 3 0 24 290.794 6 ↓
Lo Low (pH 4.5-6) 4.23 8.04 -21.89 2 3 0 26 291.802 6 ↓

Analogs

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Popular Name: N'-(2-fluorophenyl)-N-(3-methoxyphenyl)-N-methyl-ethane-1,2-diamine N'-(2-fluorophenyl)-N-(3-methoxy…

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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) 3.67 7.17 -5.98 1 3 0 24 274.339 6 ↓
Lo Low (pH 4.5-6) 3.67 7.62 -22.22 2 3 0 26 275.347 6 ↓

Analogs

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Popular Name: N'-(3-chlorophenyl)-N-(3-methoxyphenyl)-N-methyl-ethane-1,2-diamine N'-(3-chlorophenyl)-N-(3-methoxy…

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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) 4.21 7.6 -5.78 1 3 0 24 290.794 6 ↓
Lo Low (pH 4.5-6) 4.21 8.05 -22.13 2 3 0 26 291.802 6 ↓

Analogs

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Popular Name: N'-(3-fluorophenyl)-N-(3-methoxyphenyl)-N-methyl-ethane-1,2-diamine N'-(3-fluorophenyl)-N-(3-methoxy…

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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) 3.69 7.15 -6.33 1 3 0 24 274.339 6 ↓
Lo Low (pH 4.5-6) 3.69 7.58 -23.11 2 3 0 26 275.347 6 ↓

Analogs

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Popular Name: N'-(3-methoxyphenyl)-N'-methyl-N-(o-tolyl)ethane-1,2-diamine N'-(3-methoxyphenyl)-N'-methyl-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) 3.96 7.88 -5.97 1 3 0 24 270.376 6 ↓
Lo Low (pH 4.5-6) 3.96 8.33 -20.25 2 3 0 26 271.384 6 ↓

Analogs

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Popular Name: N'-(4-fluorophenyl)-N-methyl-N-(m-tolyl)ethane-1,2-diamine N'-(4-fluorophenyl)-N-methyl-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) 4.11 8.53 -5.29 1 2 0 15 258.34 5 ↓
Lo Low (pH 4.5-6) 4.11 8.96 -21.99 2 2 0 16 259.348 5 ↓

Analogs

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Popular Name: N'-methyl-N,N'-bis(m-tolyl)ethane-1,2-diamine N'-methyl-N,N'-bis(m-tolyl)ethan…

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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) 4.37 9.12 -4.56 1 2 0 15 254.377 5 ↓
Lo Low (pH 4.5-6) 4.37 9.57 -19.44 2 2 0 16 255.385 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-methyl-N'-(m-tolyl)-N-(p-tolyl)ethane-1,2-diamine N'-methyl-N'-(m-tolyl)-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) 4.39 9.14 -4.48 1 2 0 15 254.377 5 ↓
Lo Low (pH 4.5-6) 4.39 9.58 -19.35 2 2 0 16 255.385 5 ↓

Analogs

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Popular Name: N'-(2-fluorophenyl)-N-methyl-N-(m-tolyl)ethane-1,2-diamine N'-(2-fluorophenyl)-N-methyl-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) 4.06 8.55 -4.64 1 2 0 15 258.34 5 ↓
Lo Low (pH 4.5-6) 4.06 8.99 -21.52 2 2 0 16 259.348 5 ↓

Analogs

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Popular Name: N'-(3-fluorophenyl)-N-methyl-N-(m-tolyl)ethane-1,2-diamine N'-(3-fluorophenyl)-N-methyl-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) 4.09 8.53 -4.79 1 2 0 15 258.34 5 ↓
Lo Low (pH 4.5-6) 4.09 8.96 -22.29 2 2 0 16 259.348 5 ↓

Analogs

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Popular Name: N-methyl-N-(m-tolyl)-N'-(o-tolyl)ethane-1,2-diamine N-methyl-N-(m-tolyl)-N'-(o-tolyl…

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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) 4.35 9.26 -4.56 1 2 0 15 254.377 5 ↓
Lo Low (pH 4.5-6) 4.35 9.69 -19.4 2 2 0 16 255.385 5 ↓

Analogs

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Popular Name: N,N'-bis(4-fluorophenyl)-N-methyl-ethane-1,2-diamine N,N'-bis(4-fluorophenyl)-N-methy…

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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) 3.85 7.93 -6.42 1 2 0 15 262.303 5 ↓
Lo Low (pH 4.5-6) 3.85 8.35 -26.78 2 2 0 16 263.311 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(4-fluorophenyl)-N'-methyl-N-(m-tolyl)ethane-1,2-diamine N'-(4-fluorophenyl)-N'-methyl-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) 4.11 8.53 -5.34 1 2 0 15 258.34 5 ↓
Lo Low (pH 4.5-6) 4.11 8.96 -24 2 2 0 16 259.348 5 ↓

Analogs

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Popular Name: N'-(4-fluorophenyl)-N'-methyl-N-(p-tolyl)ethane-1,2-diamine N'-(4-fluorophenyl)-N'-methyl-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) 4.13 8.54 -5.29 1 2 0 15 258.34 5 ↓
Lo Low (pH 4.5-6) 4.13 8.97 -23.95 2 2 0 16 259.348 5 ↓

Analogs

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Popular Name: N'-(2-fluorophenyl)-N-(4-fluorophenyl)-N-methyl-ethane-1,2-diamine N'-(2-fluorophenyl)-N-(4-fluorop…

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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) 3.80 7.95 -5.43 1 2 0 15 262.303 5 ↓
Lo Low (pH 4.5-6) 3.80 8.39 -26.06 2 2 0 16 263.311 5 ↓

Analogs

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Popular Name: N'-(3-fluorophenyl)-N-(4-fluorophenyl)-N-methyl-ethane-1,2-diamine N'-(3-fluorophenyl)-N-(4-fluorop…

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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) 3.83 7.93 -5.98 1 2 0 15 262.303 5 ↓
Lo Low (pH 4.5-6) 3.83 8.36 -27.09 2 2 0 16 263.311 5 ↓

Analogs

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Popular Name: N'-(4-fluorophenyl)-N'-methyl-N-(o-tolyl)ethane-1,2-diamine N'-(4-fluorophenyl)-N'-methyl-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) 4.09 8.66 -5.37 1 2 0 15 258.34 5 ↓
Lo Low (pH 4.5-6) 4.09 9.09 -24.04 2 2 0 16 259.348 5 ↓

Analogs

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Popular Name: N'-(4-fluorophenyl)-N-methyl-N-(p-tolyl)ethane-1,2-diamine N'-(4-fluorophenyl)-N-methyl-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) 4.13 8.54 -5.17 1 2 0 15 258.34 5 ↓
Lo Low (pH 4.5-6) 4.13 8.97 -20.73 2 2 0 16 259.348 5 ↓

Analogs

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Popular Name: N-methyl-N'-(m-tolyl)-N-(p-tolyl)ethane-1,2-diamine N-methyl-N'-(m-tolyl)-N-(p-tolyl…

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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) 4.39 9.14 -4.45 1 2 0 15 254.377 5 ↓
Lo Low (pH 4.5-6) 4.39 9.57 -18.22 2 2 0 16 255.385 5 ↓

Analogs

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Popular Name: N'-methyl-N,N'-bis(p-tolyl)ethane-1,2-diamine N'-methyl-N,N'-bis(p-tolyl)ethan…

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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 9.15 -4.36 1 2 0 15 254.377 5 ↓
Lo Low (pH 4.5-6) 4.42 9.58 -18.17 2 2 0 16 255.385 5 ↓

Analogs

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Popular Name: N'-(2-fluorophenyl)-N-methyl-N-(p-tolyl)ethane-1,2-diamine N'-(2-fluorophenyl)-N-methyl-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) 4.09 8.56 -4.57 1 2 0 15 258.34 5 ↓
Lo Low (pH 4.5-6) 4.09 9 -20.21 2 2 0 16 259.348 5 ↓

Analogs

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Popular Name: N'-(3-fluorophenyl)-N-methyl-N-(p-tolyl)ethane-1,2-diamine N'-(3-fluorophenyl)-N-methyl-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) 4.11 8.54 -4.71 1 2 0 15 258.34 5 ↓
Lo Low (pH 4.5-6) 4.11 8.97 -21.01 2 2 0 16 259.348 5 ↓

Analogs

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Popular Name: N-methyl-N'-(o-tolyl)-N-(p-tolyl)ethane-1,2-diamine N-methyl-N'-(o-tolyl)-N-(p-tolyl…

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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) 4.37 9.27 -4.42 1 2 0 15 254.377 5 ↓
Lo Low (pH 4.5-6) 4.37 9.7 -18.19 2 2 0 16 255.385 5 ↓

Analogs

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Popular Name: N'-(4-fluorophenyl)-N-(2-methoxyphenyl)-N-methyl-ethane-1,2-diamine N'-(4-fluorophenyl)-N-(2-methoxy…

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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) 3.69 7.74 -5.26 1 3 0 24 274.339 6 ↓
Lo Low (pH 4.5-6) 3.69 7.8 -36.78 2 3 1 26 275.347 6 ↓

Analogs

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Popular Name: N'-(2-chlorophenyl)-N-(2-methoxyphenyl)-N-methyl-ethane-1,2-diamine N'-(2-chlorophenyl)-N-(2-methoxy…

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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) 4.16 8.26 -4.37 1 3 0 24 290.794 6 ↓
Lo Low (pH 4.5-6) 4.16 8.32 -33.32 2 3 1 26 291.802 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(2-methoxyphenyl)-N'-methyl-N-(m-tolyl)ethane-1,2-diamine N'-(2-methoxyphenyl)-N'-methyl-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) 3.96 8.26 -5.11 1 3 0 24 270.376 6 ↓
Lo Low (pH 4.5-6) 3.96 8.4 -32.96 2 3 1 26 271.384 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(2-methoxyphenyl)-N'-methyl-N-(p-tolyl)ethane-1,2-diamine N'-(2-methoxyphenyl)-N'-methyl-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) 3.98 8.27 -4.98 1 3 0 24 270.376 6 ↓
Lo Low (pH 4.5-6) 3.98 8.4 -32.9 2 3 1 26 271.384 6 ↓

Parameters Provided:

ring.id = 11186
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 = 11186 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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