UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34948904
34948904
56997495
56997495
739531
739531

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Popular Name: 1-(3,5-dimethoxyphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea 1-(3,5-dimethoxyphenyl)-3-[2-(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) 3.11 5.45 -51.08 3 7 1 67 385.488 7 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.23 6.49 -13.33 2 7 0 74 382.464 7 ↓

Analogs

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Popular Name: 1-(2,4-dimethoxyphenyl)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]urea 1-(2,4-dimethoxyphenyl)-3-[2-[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) 3.22 5.06 -11.49 2 7 0 66 402.47 7 ↓
Hi High (pH 8-9.5) 2.85 2.59 -13.31 2 7 0 70 402.47 8 ↓
Mid Mid (pH 6-8) 2.85 5.89 -113.96 4 7 2 72 404.486 8 ↓

Analogs

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Popular Name: 1-(2-chloro-5-methyl-phenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]urea 1-(2-chloro-5-methyl-phenyl)-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) 4.13 6.99 -10.32 2 6 0 57 402.926 6 ↓

Analogs

6418129
6418129

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Popular Name: 1-(2-chloro-5-methyl-phenyl)-3-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]urea 1-(2-chloro-5-methyl-phenyl)-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) 4.80 7.72 -9.21 2 5 0 48 407.345 5 ↓

Analogs

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Popular Name: 1-(3-chlorophenyl)-3-[2-[4-(4-ethoxyphenyl)piperazin-1-yl]ethyl]urea 1-(3-chlorophenyl)-3-[2-[4-(4-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) 4.15 6.56 -13.45 2 6 0 57 402.926 7 ↓

Analogs

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Popular Name: 1-(2,3-dimethylphenyl)-3-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]urea 1-(2,3-dimethylphenyl)-3-[2-[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) 3.82 7.99 -16.07 2 8 0 93 397.479 6 ↓

Analogs

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Popular Name: 1-(3-chlorophenyl)-3-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]urea 1-(3-chlorophenyl)-3-[2-[4-(4-ni…

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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) 3.68 7.07 -14.82 2 8 0 93 403.87 6 ↓

Analogs

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Popular Name: BRD-K58042520-001-01-7 BRD-K58042520-001-01-7

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.03 8.39 -12.99 2 8 0 93 417.897 6 ↓

Analogs

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Popular Name: 1-[2-[4-(4-chloro-2-methyl-phenyl)piperazin-1-yl]ethyl]-3-(4-chlorophenyl)urea 1-[2-[4-(4-chloro-2-methyl-pheny…

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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) 4.80 8.22 -9.47 2 5 0 48 407.345 5 ↓

Analogs

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Popular Name: 1-[2-[4-(4-chloro-2-methyl-phenyl)piperazin-1-yl]ethyl]-3-(4-fluorophenyl)urea 1-[2-[4-(4-chloro-2-methyl-pheny…

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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 7.76 -10.11 2 5 0 48 390.89 5 ↓

Analogs

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Popular Name: 1-(5-chloro-2-methyl-phenyl)-3-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]urea 1-(5-chloro-2-methyl-phenyl)-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) 4.08 8 -16.97 2 8 0 93 417.897 6 ↓

Analogs

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Popular Name: 1-[2-[4-[2-methyl-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3-(o-tolyl)urea 1-[2-[4-[2-methyl-3-(trifluorome…

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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) 4.71 8.93 -10.62 2 5 0 48 420.479 6 ↓

Analogs

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Popular Name: 1-(4-chlorophenyl)-3-[2-[4-(5-methyl-2-nitro-phenyl)piperazin-1-yl]ethyl]urea 1-(4-chlorophenyl)-3-[2-[4-(5-me…

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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) 4.08 8.7 -15.71 2 8 0 93 417.897 6 ↓

Analogs

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Popular Name: 1-[2-[4-(3-ethoxy-2-methyl-phenyl)piperazin-1-yl]ethyl]-3-(p-tolyl)urea 1-[2-[4-(3-ethoxy-2-methyl-pheny…

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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 8.18 -11.24 2 6 0 57 396.535 7 ↓

Analogs

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Popular Name: 1-(3-chlorophenyl)-3-[2-[4-(4-methylsulfanylphenyl)piperazin-1-yl]ethyl]urea 1-(3-chlorophenyl)-3-[2-[4-(4-me…

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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 7.35 -13.12 2 5 0 48 404.967 6 ↓

Analogs

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Popular Name: 1-[2-[4-(2-chloro-5-methyl-phenyl)piperazin-1-yl]ethyl]-3-phenyl-urea 1-[2-[4-(2-chloro-5-methyl-pheny…

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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) 4.12 7.69 -10.14 2 5 0 48 372.9 5 ↓

Analogs

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Popular Name: 1-[2-[4-(4-bromophenyl)piperazin-1-yl]ethyl]-3-(3-chlorophenyl)urea 1-[2-[4-(4-bromophenyl)piperazin…

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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) 4.53 6.98 -9.8 2 5 0 48 437.769 5 ↓

Analogs

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Popular Name: 1-[2-[4-(2,5-dichlorophenyl)piperazin-1-yl]ethyl]-3-(p-tolyl)urea 1-[2-[4-(2,5-dichlorophenyl)pipe…

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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) 4.80 8.16 -9.76 2 5 0 48 407.345 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(3-methoxy-2-methyl-phenyl)piperazin-1-yl]ethyl]-3-(o-tolyl)urea 1-[2-[4-(3-methoxy-2-methyl-phen…

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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) 3.87 7.46 -11.45 2 6 0 57 382.508 6 ↓

Analogs

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Popular Name: 1-(4-chlorophenyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea 1-(4-chlorophenyl)-3-[2-[4-(4-me…

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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 5.63 -12.05 2 6 0 57 388.899 6 ↓

Analogs

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Popular Name: 1-[2-[4-(4-ethylphenyl)piperazin-1-yl]ethyl]-3-phenyl-urea 1-[2-[4-(4-ethylphenyl)piperazin…

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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 7.26 -10.87 2 5 0 48 352.482 6 ↓

Analogs

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Popular Name: 1-[2-[4-(4-ethylphenyl)piperazin-1-yl]ethyl]-3-(4-methoxyphenyl)urea 1-[2-[4-(4-ethylphenyl)piperazin…

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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 6.55 -11.66 2 6 0 57 382.508 7 ↓

Analogs

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Popular Name: 1-(2-chloro-4-methoxy-phenyl)-3-[2-[4-(p-tolyl)piperazin-1-yl]ethyl]urea 1-(2-chloro-4-methoxy-phenyl)-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) 4.17 6.41 -9.69 2 6 0 57 402.926 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(2-chloro-4-methyl-phenyl)piperazin-1-yl]ethyl]-3-phenyl-urea 1-[2-[4-(2-chloro-4-methyl-pheny…

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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) 4.12 7.68 -10.13 2 5 0 48 372.9 5 ↓

Analogs

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Popular Name: 1-(3-methoxy-2-methyl-phenyl)-3-[2-[4-(p-tolyl)piperazin-1-yl]ethyl]urea 1-(3-methoxy-2-methyl-phenyl)-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) 3.92 6.8 -11.21 2 6 0 57 382.508 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(4-chloro-3-methyl-phenyl)piperazin-1-yl]ethyl]-3-phenyl-urea 1-[2-[4-(4-chloro-3-methyl-pheny…

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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) 4.12 6.92 -11.33 2 5 0 48 372.9 5 ↓

Analogs

43420935
43420935

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Popular Name: 1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-3-(4-fluorophenyl)urea 1-[2-[4-(2,3-dimethylphenyl)pipe…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.03 7.83 -10.43 2 5 0 48 370.472 5 ↓
Mid Mid (pH 6-8) 4.03 7.8 -38.69 3 5 1 49 371.48 5 ↓

Analogs

38588886
38588886

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Popular Name: 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenyl-urea 1-[2-[4-(4-methoxyphenyl)piperaz…

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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) 3.12 5.12 -12.45 2 6 0 57 354.454 6 ↓

Analogs

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Popular Name: 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3-(o-tolyl)urea 1-[2-[4-(4-methoxyphenyl)piperaz…

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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 6.06 -12.52 2 6 0 57 368.481 6 ↓

Analogs

33752123
33752123

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Popular Name: 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3-(p-tolyl)urea 1-[2-[4-(4-methoxyphenyl)piperaz…

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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) 3.57 5.8 -12.57 2 6 0 57 368.481 6 ↓

Analogs

16428867
16428867
34976964
34976964
34977030
34977030
4559527
4559527

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Popular Name: 1-(4-fluorophenyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea 1-(4-fluorophenyl)-3-[2-[4-(4-me…

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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 5.18 -12.51 2 6 0 57 372.444 6 ↓

Analogs

34977043
34977043
4526729
4526729

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Popular Name: 1-(2-fluorophenyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea 1-(2-fluorophenyl)-3-[2-[4-(4-me…

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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) 3.24 5.22 -11.13 2 6 0 57 372.444 6 ↓

Analogs

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Popular Name: 1-(3,4-dimethylphenyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea 1-(3,4-dimethylphenyl)-3-[2-[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) 3.95 6.35 -12.67 2 6 0 57 382.508 6 ↓

Analogs

34968778
34968778

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Popular Name: 1-(3,5-dimethylphenyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea 1-(3,5-dimethylphenyl)-3-[2-[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) 3.95 6.46 -12.59 2 6 0 57 382.508 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-methoxyphenyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea 1-(3-methoxyphenyl)-3-[2-[4-(4-m…

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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) 3.15 4.41 -15.54 2 7 0 66 384.48 7 ↓

Analogs

38588833
38588833

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Popular Name: 1-(4-methoxyphenyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea 1-(4-methoxyphenyl)-3-[2-[4-(4-m…

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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) 3.18 4.42 -13.3 2 7 0 66 384.48 7 ↓

Analogs

739529
739529

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Popular Name: 1-(2-methoxyphenyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea 1-(2-methoxyphenyl)-3-[2-[4-(4-m…

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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) 3.13 4.52 -12.31 2 7 0 66 384.48 7 ↓

Analogs

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Popular Name: 1-(3-chlorophenyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea 1-(3-chlorophenyl)-3-[2-[4-(4-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.77 5.63 -13.63 2 6 0 57 388.899 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-chlorophenyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea 1-(2-chlorophenyl)-3-[2-[4-(4-me…

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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) 3.75 5.74 -10.66 2 6 0 57 388.899 6 ↓

Analogs

34977043
34977043
4526729
4526729

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Popular Name: 1-(2,6-difluorophenyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea 1-(2,6-difluorophenyl)-3-[2-[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) 3.35 5.23 -13.65 2 6 0 57 390.434 6 ↓

Analogs

56997491
56997491
16475631
16475631

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Popular Name: 1-(4-ethoxyphenyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea 1-(4-ethoxyphenyl)-3-[2-[4-(4-me…

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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) 3.55 5.34 -13.18 2 7 0 66 398.507 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-ethoxyphenyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea 1-(2-ethoxyphenyl)-3-[2-[4-(4-me…

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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) 3.51 5.51 -11.81 2 7 0 66 398.507 8 ↓

Analogs

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Popular Name: 1-(4-tert-butylphenyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea 1-(4-tert-butylphenyl)-3-[2-[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) 4.83 7.45 -12.18 2 6 0 57 410.562 7 ↓

Analogs

16622602
16622602

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Popular Name: 1-(3,4-dimethoxyphenyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea 1-(3,4-dimethoxyphenyl)-3-[2-[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) 2.77 4.31 -15.15 2 8 0 75 414.506 8 ↓

Analogs

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Popular Name: 1-(3,5-dimethoxyphenyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea 1-(3,5-dimethoxyphenyl)-3-[2-[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) 3.16 3.73 -15.23 2 8 0 75 414.506 8 ↓

Analogs

56997499
56997499
739529
739529

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Popular Name: 1-(2,4-dimethoxyphenyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea 1-(2,4-dimethoxyphenyl)-3-[2-[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) 3.16 3.82 -12.66 2 8 0 75 414.506 8 ↓

Analogs

34977045
34977045

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Popular Name: 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3-[2-(trifluoromethyl)phenyl]urea 1-[2-[4-(4-methoxyphenyl)piperaz…

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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 6.42 -9.95 2 6 0 57 422.451 7 ↓

Analogs

34968753
34968753
34968755
34968755

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]urea 1-[2-[4-(4-methoxyphenyl)piperaz…

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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) 3.99 6.12 -14.71 2 6 0 57 422.451 7 ↓

Analogs

740104
740104

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Popular Name: 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3-[4-(trifluoromethyl)phenyl]urea 1-[2-[4-(4-methoxyphenyl)piperaz…

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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) 4.02 6.12 -12.55 2 6 0 57 422.451 7 ↓

Parameters Provided:

ring.id = 7644
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 = 7644 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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