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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[3-(azepan-1-yl)propyl]-4-bromo-3,5-dimethoxy-benzamide N-[3-(azepan-1-yl)propyl]-4-brom…

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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) 3.62 7.45 -49.06 2 5 1 52 400.337 7 ↓

Analogs

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Popular Name: N-[3-(azepan-1-yl)propyl]-2,5-difluoro-benzamide N-[3-(azepan-1-yl)propyl]-2,5-di…

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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) 3.10 8.27 -45.19 2 3 1 34 297.369 5 ↓

Analogs

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Popular Name: N-[3-(azepan-1-yl)propyl]-3-(diethylsulfamoyl)-4-methyl-benzamide N-[3-(azepan-1-yl)propyl]-3-(die…

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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) 3.29 8.69 -52.65 2 6 1 71 410.604 9 ↓

Analogs

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Popular Name: N-[3-(azepan-1-yl)propyl]-2,6-dimethoxy-benzamide N-[3-(azepan-1-yl)propyl]-2,6-di…

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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) 2.86 6.38 -44.71 2 5 1 52 321.441 7 ↓

Analogs

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Popular Name: N-[3-(azepan-1-yl)propyl]-3-methanesulfonamido-4-methyl-benzamide N-[3-(azepan-1-yl)propyl]-3-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) 2.45 5.29 -55.14 3 6 1 80 368.523 7 ↓
Hi High (pH 8-9.5) 2.45 5.37 -73.33 2 6 0 82 367.515 7 ↓

Analogs

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Popular Name: N-[3-(azepan-1-yl)propyl]-4-(ethylsulfonylamino)benzamide N-[3-(azepan-1-yl)propyl]-4-(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) 2.45 5.42 -49.62 3 6 1 80 368.523 8 ↓
Hi High (pH 8-9.5) 2.45 5.5 -63.47 2 6 0 82 367.515 8 ↓

Analogs

36702695
36702695

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Popular Name: N-[3-(azepan-1-yl)propyl]-2-iodo-benzamide N-[3-(azepan-1-yl)propyl]-2-iodo…

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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) 3.88 8.89 -44.05 2 3 1 34 387.285 5 ↓

Analogs

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Popular Name: N-[3-(azepan-1-yl)propyl]-2-fluoro-benzamide N-[3-(azepan-1-yl)propyl]-2-fluo…

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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) 2.96 7.9 -48.41 2 3 1 34 279.379 5 ↓

Analogs

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Popular Name: N-[3-(azepan-1-yl)propyl]-2,3-dichloro-benzamide N-[3-(azepan-1-yl)propyl]-2,3-di…

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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) 4.10 9.1 -47.85 2 3 1 34 330.279 5 ↓

Analogs

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Popular Name: N-[3-(azepan-1-yl)propyl]-2,5-dichloro-benzamide N-[3-(azepan-1-yl)propyl]-2,5-di…

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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 9.16 -42.79 2 3 1 34 330.279 5 ↓

Analogs

25131218
25131218

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Popular Name: N-[3-(azepan-1-yl)propyl]-2,4-difluoro-benzamide N-[3-(azepan-1-yl)propyl]-2,4-di…

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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) 3.10 8.27 -48.66 2 3 1 34 297.369 5 ↓

Analogs

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Popular Name: N-[3-(azepan-1-yl)propyl]-2-chloro-4-fluoro-benzamide N-[3-(azepan-1-yl)propyl]-2-chlo…

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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 8.7 -46.34 2 3 1 34 313.824 5 ↓

Analogs

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Popular Name: N-[3-(azepan-1-yl)propyl]-4-(methyl-methylsulfonyl-amino)benzamide N-[3-(azepan-1-yl)propyl]-4-(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) 2.32 5.91 -54.82 2 6 1 71 368.523 7 ↓

Analogs

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Popular Name: N-[3-(azepan-1-yl)propyl]-2-(methyl-methylsulfonyl-amino)benzamide N-[3-(azepan-1-yl)propyl]-2-(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) 2.27 6.86 -50.95 2 6 1 71 368.523 7 ↓

Analogs

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Popular Name: 4-(allyl-methylsulfonyl-amino)-N-[3-(azepan-1-yl)propyl]benzamide 4-(allyl-methylsulfonyl-amino)-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) 2.97 7.22 -51.48 2 6 1 71 394.561 9 ↓

Analogs

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Popular Name: N-[3-(azepan-1-yl)propyl]-4-(ethylsulfonyl-methyl-amino)benzamide N-[3-(azepan-1-yl)propyl]-4-(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) 2.70 6.83 -51.33 2 6 1 71 382.55 8 ↓

Analogs

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Popular Name: N-[3-(azepan-1-yl)propyl]-2,4-dichloro-benzamide N-[3-(azepan-1-yl)propyl]-2,4-di…

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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 8.85 -46.08 2 3 1 34 330.279 5 ↓

Analogs

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Popular Name: N-[3-(azepan-1-yl)propyl]-2-methyl-benzamide N-[3-(azepan-1-yl)propyl]-2-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) 3.25 8.49 -42.95 2 3 1 34 275.416 5 ↓

Analogs

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Popular Name: N-[3-(azepan-1-yl)propyl]-3-methyl-benzamide N-[3-(azepan-1-yl)propyl]-3-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) 3.27 8.49 -44.29 2 3 1 34 275.416 5 ↓

Analogs

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Popular Name: N-[3-(azepan-1-yl)propyl]-3,4,5-trimethoxy-benzamide N-[3-(azepan-1-yl)propyl]-3,4,5-…

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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) 2.48 6.97 -50.12 2 6 1 61 351.467 8 ↓

Analogs

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Popular Name: N-[3-(azepan-1-yl)propyl]-4-methanesulfonamido-3-methyl-benzamide N-[3-(azepan-1-yl)propyl]-4-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) 2.45 5.3 -50.31 3 6 1 80 368.523 7 ↓
Hi High (pH 8-9.5) 2.45 5.37 -61.97 2 6 0 82 367.515 7 ↓

Analogs

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Popular Name: N-[3-(azepan-1-yl)propyl]-4-fluoro-benzamide N-[3-(azepan-1-yl)propyl]-4-fluo…

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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) 3.01 7.89 -45.31 2 3 1 34 279.379 5 ↓

Analogs

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Popular Name: N-[3-(azepan-1-yl)propyl]-2-methyl-3-nitro-benzamide N-[3-(azepan-1-yl)propyl]-2-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) 3.16 9 -53.11 2 6 1 79 320.413 6 ↓

Analogs

36984207
36984207

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Popular Name: N-[3-(azepan-1-yl)propyl]-4-methyl-benzamide N-[3-(azepan-1-yl)propyl]-4-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) 3.29 8.5 -44.06 2 3 1 34 275.416 5 ↓

Analogs

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Popular Name: N-[3-(azepan-1-yl)propyl]-3-chloro-4-ethoxy-5-methoxy-benzamide N-[3-(azepan-1-yl)propyl]-3-chlo…

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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 8.93 -45.45 2 5 1 52 369.913 8 ↓

Analogs

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Popular Name: N-[3-(azepan-1-yl)propyl]-4,5-dimethoxy-2-nitro-benzamide N-[3-(azepan-1-yl)propyl]-4,5-di…

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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) 2.38 9.07 -54.43 2 8 1 98 366.438 8 ↓

Analogs

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Popular Name: N-[3-(azepan-1-yl)propyl]-2-chloro-5-(dimethylsulfamoyl)benzamide N-[3-(azepan-1-yl)propyl]-2-chlo…

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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) 2.76 6.62 -47.97 2 6 1 71 402.968 7 ↓

Analogs

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Popular Name: N-[3-(azepan-1-yl)propyl]-3-bromo-5-methoxy-4-propoxy-benzamide N-[3-(azepan-1-yl)propyl]-3-brom…

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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 9.85 -45.1 2 5 1 52 428.391 9 ↓

Analogs

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Popular Name: N-[3-(azepan-1-yl)propyl]-3-bromo-4-ethoxy-5-methoxy-benzamide N-[3-(azepan-1-yl)propyl]-3-brom…

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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 9.05 -45.25 2 5 1 52 414.364 8 ↓

Analogs

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Popular Name: N-[3-(azepan-1-yl)propyl]-3-chloro-5-methoxy-4-propoxy-benzamide N-[3-(azepan-1-yl)propyl]-3-chlo…

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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) 4.17 9.73 -45.29 2 5 1 52 383.94 9 ↓

Analogs

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Popular Name: N-[3-(azepan-1-yl)propyl]-2-(dimethylamino)-5-nitro-benzamide N-[3-(azepan-1-yl)propyl]-2-(dim…

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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) 2.83 10.45 -42.95 2 7 1 83 349.455 7 ↓

Analogs

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Popular Name: N-[3-(azepan-1-yl)propyl]-4-chloro-3-methylsulfonyl-benzamide N-[3-(azepan-1-yl)propyl]-4-chlo…

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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) 2.76 6.05 -55.01 2 5 1 68 373.926 6 ↓

Analogs

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Popular Name: N-[3-(azepan-1-yl)propyl]-4-bromo-3-(dimethylsulfamoyl)benzamide N-[3-(azepan-1-yl)propyl]-4-brom…

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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) 2.90 6.92 -54.53 2 6 1 71 447.419 7 ↓

Analogs

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Popular Name: N-[3-(azepan-1-yl)propyl]-4-chloro-2-nitro-benzamide N-[3-(azepan-1-yl)propyl]-4-chlo…

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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) 3.41 10.34 -54.19 2 6 1 79 340.831 6 ↓

Analogs

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Popular Name: N-[3-(azepan-1-yl)propyl]-4-chloro-3-(diethylsulfamoyl)benzamide N-[3-(azepan-1-yl)propyl]-4-chlo…

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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) 3.52 7.9 -54.26 2 6 1 71 431.022 9 ↓

Analogs

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Popular Name: N-[3-(azepan-1-yl)propyl]-3-iodo-benzamide N-[3-(azepan-1-yl)propyl]-3-iodo…

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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 9.22 -41.51 2 3 1 34 387.285 5 ↓

Analogs

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Popular Name: N-[3-(azepan-1-yl)propyl]-5-bromo-2-chloro-benzamide N-[3-(azepan-1-yl)propyl]-5-brom…

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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) 4.26 9.26 -42.66 2 3 1 34 374.73 5 ↓

Analogs

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Popular Name: N-[3-(azepan-1-yl)propyl]-2,6-difluoro-benzamide N-[3-(azepan-1-yl)propyl]-2,6-di…

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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) 3.08 8.09 -43.23 2 3 1 34 297.369 5 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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