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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-fluoro-2-nitro-N-(3-phenylcyclobutyl)aniline 4-fluoro-2-nitro-N-(3-phenylcycl…

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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) 4.97 9.99 -8.35 1 4 0 58 286.306 4 ↓

Analogs

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Popular Name: 5-chloro-2-nitro-N-(3-phenylcyclobutyl)aniline 5-chloro-2-nitro-N-(3-phenylcycl…

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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) 5.48 10.41 -5.92 1 4 0 58 302.761 4 ↓

Analogs

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Popular Name: 2-chloro-4-nitro-N-(3-phenylcyclobutyl)aniline 2-chloro-4-nitro-N-(3-phenylcycl…

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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) 5.48 10.3 -7.86 1 4 0 58 302.761 4 ↓

Analogs

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Popular Name: 4-chloro-2-nitro-N-(3-phenylcyclobutyl)aniline 4-chloro-2-nitro-N-(3-phenylcycl…

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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) 5.48 10.45 -7.86 1 4 0 58 302.761 4 ↓

Analogs

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Popular Name: 2-chloro-5-[(3-phenylcyclobutyl)amino]benzonitrile 2-chloro-5-[(3-phenylcyclobutyl)…

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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) 5.28 9.81 -7.38 1 2 0 36 282.774 3 ↓

Analogs

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Popular Name: 2-chloro-5-[[3-(4-fluorophenyl)cyclobutyl]amino]benzonitrile 2-chloro-5-[[3-(4-fluorophenyl)c…

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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) 5.44 9.84 -9.15 1 2 0 36 300.764 3 ↓

Analogs

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Popular Name: 2-chloro-5-[[3-(2-chlorophenyl)cyclobutyl]amino]benzonitrile 2-chloro-5-[[3-(2-chlorophenyl)c…

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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) 5.44 10.22 -8.33 1 2 0 36 317.219 3 ↓

Analogs

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Popular Name: 2-chloro-5-[[3-(p-tolyl)cyclobutyl]amino]benzonitrile 2-chloro-5-[[3-(p-tolyl)cyclobut…

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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) 5.73 10.45 -7.44 1 2 0 36 296.801 3 ↓

Analogs

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Popular Name: 2-chloro-5-[[3-(3-fluorophenyl)cyclobutyl]amino]benzonitrile 2-chloro-5-[[3-(3-fluorophenyl)c…

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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) 5.42 9.84 -8.98 1 2 0 36 300.764 3 ↓

Analogs

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Popular Name: 5-[[3-(3-bromophenyl)cyclobutyl]amino]-2-chloro-benzonitrile 5-[[3-(3-bromophenyl)cyclobutyl]…

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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) 6.07 10.41 -8.17 1 2 0 36 361.67 3 ↓

Analogs

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Popular Name: 2-chloro-5-[[3-(2-fluorophenyl)cyclobutyl]amino]benzonitrile 2-chloro-5-[[3-(2-fluorophenyl)c…

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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 9.84 -9.26 1 2 0 36 300.764 3 ↓

Analogs

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Popular Name: 2-chloro-5-[[3-(4-chlorophenyl)cyclobutyl]amino]benzonitrile 2-chloro-5-[[3-(4-chlorophenyl)c…

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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) 5.96 10.3 -8.36 1 2 0 36 317.219 3 ↓

Analogs

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Popular Name: 5-[[3-(4-bromophenyl)cyclobutyl]amino]-2-chloro-benzonitrile 5-[[3-(4-bromophenyl)cyclobutyl]…

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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) 6.09 10.4 -8.34 1 2 0 36 361.67 3 ↓

Analogs

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Popular Name: 2-chloro-5-[[3-(m-tolyl)cyclobutyl]amino]benzonitrile 2-chloro-5-[[3-(m-tolyl)cyclobut…

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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) 5.71 10.44 -7.47 1 2 0 36 296.801 3 ↓

Analogs

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Popular Name: 2-chloro-5-[[3-(3-chlorophenyl)cyclobutyl]amino]benzonitrile 2-chloro-5-[[3-(3-chlorophenyl)c…

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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) 5.94 10.31 -8.2 1 2 0 36 317.219 3 ↓

Analogs

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Popular Name: 2-chloro-5-[[3-(o-tolyl)cyclobutyl]amino]benzonitrile 2-chloro-5-[[3-(o-tolyl)cyclobut…

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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) 5.21 10.29 -7.62 1 2 0 36 296.801 3 ↓

Analogs

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Popular Name: 5-[[3-(2-bromophenyl)cyclobutyl]amino]-2-chloro-benzonitrile 5-[[3-(2-bromophenyl)cyclobutyl]…

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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) 5.57 10.31 -8.25 1 2 0 36 361.67 3 ↓

Analogs

1235052
1235052

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Popular Name: N-(3-phenylcyclobutyl)-2-propyl-aniline N-(3-phenylcyclobutyl)-2-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) 6.18 11.32 -3.1 1 1 0 12 265.4 5 ↓

Analogs

1235052
1235052

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Popular Name: N-[3-(4-fluorophenyl)cyclobutyl]-2-propyl-aniline N-[3-(4-fluorophenyl)cyclobutyl]…

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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) 6.34 11.35 -4.17 1 1 0 12 283.39 5 ↓

Analogs

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Popular Name: N-[3-(2-chlorophenyl)cyclobutyl]-2-propyl-aniline N-[3-(2-chlorophenyl)cyclobutyl]…

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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) 6.33 11.73 -3.85 1 1 0 12 299.845 5 ↓

Analogs

1235053
1235053

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Popular Name: 2-propyl-N-[3-(p-tolyl)cyclobutyl]aniline 2-propyl-N-[3-(p-tolyl)cyclobuty…

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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 11.96 -3.18 1 1 0 12 279.427 5 ↓

Analogs

209290
209290

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Popular Name: N-[3-(3-fluorophenyl)cyclobutyl]-2-propyl-aniline N-[3-(3-fluorophenyl)cyclobutyl]…

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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) 6.32 11.35 -4.27 1 1 0 12 283.39 5 ↓

Analogs

1657479
1657479
4826260
4826260

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Popular Name: N-[3-(3-bromophenyl)cyclobutyl]-2-propyl-aniline N-[3-(3-bromophenyl)cyclobutyl]-…

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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) 6.96 11.9 -3.49 1 1 0 12 344.296 5 ↓

Analogs

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Popular Name: N-[3-(2-fluorophenyl)cyclobutyl]-2-propyl-aniline N-[3-(2-fluorophenyl)cyclobutyl]…

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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) 5.82 11.35 -4.7 1 1 0 12 283.39 5 ↓

Analogs

173868
173868

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Popular Name: N-[3-(4-chlorophenyl)cyclobutyl]-2-propyl-aniline N-[3-(4-chlorophenyl)cyclobutyl]…

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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) 6.86 11.81 -3.57 1 1 0 12 299.845 5 ↓

Analogs

1657479
1657479
4826260
4826260

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Popular Name: N-[3-(4-bromophenyl)cyclobutyl]-2-propyl-aniline N-[3-(4-bromophenyl)cyclobutyl]-…

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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) 6.99 11.91 -3.5 1 1 0 12 344.296 5 ↓

Analogs

1293500
1293500

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Popular Name: N-[3-(m-tolyl)cyclobutyl]-2-propyl-aniline N-[3-(m-tolyl)cyclobutyl]-2-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) 6.60 11.95 -3.19 1 1 0 12 279.427 5 ↓

Analogs

1235052
1235052

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Popular Name: N-[3-(3-chlorophenyl)cyclobutyl]-2-propyl-aniline N-[3-(3-chlorophenyl)cyclobutyl]…

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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) 6.83 11.8 -3.55 1 1 0 12 299.845 5 ↓

Analogs

1235053
1235053

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Popular Name: N-[3-(o-tolyl)cyclobutyl]-2-propyl-aniline N-[3-(o-tolyl)cyclobutyl]-2-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) 6.10 11.8 -3.29 1 1 0 12 279.427 5 ↓

Analogs

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Popular Name: N-[3-(2-bromophenyl)cyclobutyl]-2-propyl-aniline N-[3-(2-bromophenyl)cyclobutyl]-…

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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) 6.47 11.82 -3.75 1 1 0 12 344.296 5 ↓

Analogs

37780456
37780456

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Popular Name: 2-[3-[(3-phenylcyclobutyl)amino]phenoxy]acetonitrile 2-[3-[(3-phenylcyclobutyl)amino]…

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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) 4.74 9.01 -9.36 1 3 0 45 278.355 5 ↓

Analogs

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Popular Name: 4-chloro-3-fluoro-N-(3-phenylcyclobutyl)aniline 4-chloro-3-fluoro-N-(3-phenylcyc…

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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) 5.69 9.57 -4.99 1 1 0 12 275.754 3 ↓

Analogs

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Popular Name: 4-chloro-3-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]aniline 4-chloro-3-fluoro-N-[3-(4-fluoro…

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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) 5.85 9.61 -6.64 1 1 0 12 293.744 3 ↓

Analogs

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Popular Name: 4-chloro-N-[3-(2-chlorophenyl)cyclobutyl]-3-fluoro-aniline 4-chloro-N-[3-(2-chlorophenyl)cy…

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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) 5.85 9.96 -5.37 1 1 0 12 310.199 3 ↓

Analogs

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Popular Name: 4-chloro-3-fluoro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline 4-chloro-3-fluoro-N-[3-(2-methox…

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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) 5.23 8.92 -6.05 1 2 0 21 305.78 4 ↓

Analogs

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Popular Name: 4-chloro-3-fluoro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline 4-chloro-3-fluoro-N-[3-(4-methox…

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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) 5.75 8.85 -6.91 1 2 0 21 305.78 4 ↓

Analogs

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Popular Name: 4-chloro-3-fluoro-N-[3-(p-tolyl)cyclobutyl]aniline 4-chloro-3-fluoro-N-[3-(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) 6.14 10.21 -5.15 1 1 0 12 289.781 3 ↓

Analogs

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Popular Name: 4-chloro-3-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]aniline 4-chloro-3-fluoro-N-[3-(3-fluoro…

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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) 5.83 9.61 -6.57 1 1 0 12 293.744 3 ↓

Analogs

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Popular Name: N-[3-(3-bromophenyl)cyclobutyl]-4-chloro-3-fluoro-aniline N-[3-(3-bromophenyl)cyclobutyl]-…

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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) 6.47 10.17 -5.79 1 1 0 12 354.65 3 ↓

Analogs

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Popular Name: 4-chloro-3-fluoro-N-[3-(2-fluorophenyl)cyclobutyl]aniline 4-chloro-3-fluoro-N-[3-(2-fluoro…

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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) 5.33 9.57 -6.1 1 1 0 12 293.744 3 ↓

Analogs

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Popular Name: 4-chloro-N-[3-(4-chlorophenyl)cyclobutyl]-3-fluoro-aniline 4-chloro-N-[3-(4-chlorophenyl)cy…

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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) 6.37 10.06 -5.89 1 1 0 12 310.199 3 ↓

Analogs

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Popular Name: 4-chloro-3-fluoro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline 4-chloro-3-fluoro-N-[3-(3-methox…

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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) 5.72 8.85 -6.78 1 2 0 21 305.78 4 ↓

Analogs

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Popular Name: N-[3-(4-bromophenyl)cyclobutyl]-4-chloro-3-fluoro-aniline N-[3-(4-bromophenyl)cyclobutyl]-…

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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) 6.50 10.16 -5.92 1 1 0 12 354.65 3 ↓

Analogs

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Popular Name: 4-chloro-3-fluoro-N-[3-(m-tolyl)cyclobutyl]aniline 4-chloro-3-fluoro-N-[3-(m-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) 6.11 10.2 -5.16 1 1 0 12 289.781 3 ↓

Analogs

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Popular Name: 4-chloro-N-[3-(3-chlorophenyl)cyclobutyl]-3-fluoro-aniline 4-chloro-N-[3-(3-chlorophenyl)cy…

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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) 6.34 10.07 -5.83 1 1 0 12 310.199 3 ↓

Analogs

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Popular Name: 4-chloro-3-fluoro-N-[3-(o-tolyl)cyclobutyl]aniline 4-chloro-3-fluoro-N-[3-(o-tolyl)…

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Activity (Go SEA)

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) 5.62 10.05 -5.3 1 1 0 12 289.781 3 ↓

Analogs

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Popular Name: N-[3-(2-bromophenyl)cyclobutyl]-4-chloro-3-fluoro-aniline N-[3-(2-bromophenyl)cyclobutyl]-…

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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) 5.98 10.04 -5.35 1 1 0 12 354.65 3 ↓

Analogs

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Popular Name: 2-[4-[(3-phenylcyclobutyl)amino]phenyl]acetonitrile 2-[4-[(3-phenylcyclobutyl)amino]…

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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) 4.88 10.18 -8.73 1 2 0 36 262.356 4 ↓

Analogs

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Popular Name: 2-[4-[[3-(4-fluorophenyl)cyclobutyl]amino]phenyl]acetonitrile 2-[4-[[3-(4-fluorophenyl)cyclobu…

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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) 5.05 10.24 -9.8 1 2 0 36 280.346 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[3-(2-chlorophenyl)cyclobutyl]amino]phenyl]acetonitrile 2-[4-[[3-(2-chlorophenyl)cyclobu…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.04 10.57 -9.14 1 2 0 36 296.801 4 ↓

Parameters Provided:

ring.id = 124954
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 = 124954 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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