UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[(4-chlorophenyl)sulfanyl]azetidine hydrochloride 3-[(4-chlorophenyl)sulfanyl]azet…

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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) 2.68 5.44 -43.91 2 1 1 17 200.714 2 ↓
Hi High (pH 8-9.5) 2.68 3.75 -2.21 1 1 0 12 199.706 2 ↓

Analogs

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Popular Name: 3-(phenylsulfanyl)azetidine hydrochloride 3-(phenylsulfanyl)azetidine hydr…

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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) 2.00 4.92 -41.87 2 1 1 17 166.269 2 ↓
Hi High (pH 8-9.5) 2.00 3.23 -3.38 1 1 0 12 165.261 2 ↓

Analogs

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Popular Name: 3-[(4-methylphenyl)sulfanyl]azetidine hydrochloride 3-[(4-methylphenyl)sulfanyl]azet…

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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 5.6 -41.83 2 1 1 17 180.296 2 ↓
Hi High (pH 8-9.5) 2.45 3.9 -3.35 1 1 0 12 179.288 2 ↓

Analogs

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Popular Name: 3-(2,5-dichlorophenyl)sulfanylazetidine 3-(2,5-dichlorophenyl)sulfanylaz…

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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 5.9 -42.54 2 1 1 17 235.159 2 ↓
Hi High (pH 8-9.5) 3.29 4.21 -2.54 1 1 0 12 234.151 2 ↓

Analogs

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Popular Name: 3-(2-fluorophenyl)sulfanylazetidine 3-(2-fluorophenyl)sulfanylazetidine

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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) 2.12 4.96 -45.13 2 1 1 17 184.259 2 ↓
Hi High (pH 8-9.5) 2.12 3.27 -4.67 1 1 0 12 183.251 2 ↓

Analogs

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Popular Name: 3-(3-methoxyphenyl)sulfanylazetidine 3-(3-methoxyphenyl)sulfanylazeti…

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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) 2.04 4.22 -44.79 2 2 1 26 196.295 3 ↓
Hi High (pH 8-9.5) 2.04 2.53 -4.49 1 2 0 21 195.287 3 ↓

Analogs

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Popular Name: 3-(4-isopropylphenyl)sulfanylazetidine 3-(4-isopropylphenyl)sulfanylaze…

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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 6.84 -41.6 2 1 1 17 208.35 3 ↓
Hi High (pH 8-9.5) 3.52 5.14 -2.99 1 1 0 12 207.342 3 ↓

Analogs

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Popular Name: 3-(2-chlorophenyl)sulfanylazetidine 3-(2-chlorophenyl)sulfanylazetidine

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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) 2.63 5.38 -43.81 2 1 1 17 200.714 2 ↓
Hi High (pH 8-9.5) 2.63 3.69 -3.58 1 1 0 12 199.706 2 ↓

Analogs

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Popular Name: 3-(2,4-dimethylphenyl)sulfanylazetidine 3-(2,4-dimethylphenyl)sulfanylaz…

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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 6.16 -41.71 2 1 1 17 194.323 2 ↓
Hi High (pH 8-9.5) 2.83 4.47 -2.87 1 1 0 12 193.315 2 ↓

Analogs

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Popular Name: 3-[(4-fluorophenyl)sulfanyl]azetidine hydrochloride 3-[(4-fluorophenyl)sulfanyl]azet…

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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) 2.17 4.99 -44.73 2 1 1 17 184.259 2 ↓
Hi High (pH 8-9.5) 2.17 3.29 -3.26 1 1 0 12 183.251 2 ↓

Analogs

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Popular Name: 3-[(4-methoxyphenyl)sulfanyl]azetidine hydrochloride 3-[(4-methoxyphenyl)sulfanyl]aze…

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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) 2.06 4.22 -43.44 2 2 1 26 196.295 3 ↓
Hi High (pH 8-9.5) 2.06 2.52 -4.26 1 2 0 21 195.287 3 ↓

Analogs

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Popular Name: 3-(3,4-dimethylphenyl)sulfanylazetidine 3-(3,4-dimethylphenyl)sulfanylaz…

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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 6.15 -41.82 2 1 1 17 194.323 2 ↓
Hi High (pH 8-9.5) 2.83 4.46 -3 1 1 0 12 193.315 2 ↓

Analogs

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Popular Name: 3-(2,5-dimethylphenyl)sulfanylazetidine 3-(2,5-dimethylphenyl)sulfanylaz…

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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 6.16 -41.84 2 1 1 17 194.323 2 ↓
Hi High (pH 8-9.5) 2.83 4.47 -2.9 1 1 0 12 193.315 2 ↓

Analogs

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Popular Name: 3-(4-tert-butylphenyl)sulfanylazetidine 3-(4-tert-butylphenyl)sulfanylaz…

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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) 3.71 7.25 -41.61 2 1 1 17 222.377 3 ↓
Hi High (pH 8-9.5) 3.71 5.55 -2.9 1 1 0 12 221.369 3 ↓

Analogs

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Popular Name: 3-(3,4-difluorophenyl)sulfanylazetidine 3-(3,4-difluorophenyl)sulfanylaz…

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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) 2.26 5.05 -45.55 2 1 1 17 202.249 2 ↓
Hi High (pH 8-9.5) 2.26 3.36 -3.83 1 1 0 12 201.241 2 ↓

Analogs

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Popular Name: 3-(2,4-difluorophenyl)sulfanylazetidine 3-(2,4-difluorophenyl)sulfanylaz…

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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) 2.26 5.03 -47.51 2 1 1 17 202.249 2 ↓
Hi High (pH 8-9.5) 2.26 3.33 -4.67 1 1 0 12 201.241 2 ↓

Analogs

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Popular Name: 3-[(4-bromophenyl)sulfanyl]azetidine hydrochloride 3-[(4-bromophenyl)sulfanyl]azeti…

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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) 2.81 5.55 -43.99 2 1 1 17 245.165 2 ↓
Hi High (pH 8-9.5) 2.81 3.86 -2.15 1 1 0 12 244.157 2 ↓

Analogs

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Popular Name: 3-(2-bromophenyl)sulfanylazetidine 3-(2-bromophenyl)sulfanylazetidine

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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 5.47 -43.74 2 1 1 17 245.165 2 ↓
Hi High (pH 8-9.5) 2.77 3.78 -3.51 1 1 0 12 244.157 2 ↓

Analogs

42407723
42407723
42407725
42407725
42407730
42407730

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Popular Name: 3-(2-nitrophenyl)sulfanylazetidine 3-(2-nitrophenyl)sulfanylazetidine

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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) 1.92 5.48 -52.03 2 4 1 62 211.266 3 ↓
Hi High (pH 8-9.5) 1.92 3.79 -8.65 1 4 0 58 210.258 3 ↓

Analogs

42407746
42407746
42407754
42407754

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Popular Name: 3-(4-nitrophenyl)sulfanylazetidine 3-(4-nitrophenyl)sulfanylazetidine

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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) 1.96 5.64 -52.45 2 4 1 62 211.266 3 ↓
Hi High (pH 8-9.5) 1.96 3.94 -6.24 1 4 0 58 210.258 3 ↓

Analogs

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Popular Name: 3-(2,5-difluorophenyl)sulfanylazetidine 3-(2,5-difluorophenyl)sulfanylaz…

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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) 2.26 5.03 -43.76 2 1 1 17 202.249 2 ↓
Hi High (pH 8-9.5) 2.26 3.34 -3.49 1 1 0 12 201.241 2 ↓

Analogs

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Popular Name: 3-(o-tolylsulfanyl)azetidine 3-(o-tolylsulfanyl)azetidine

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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) 2.40 5.5 -41.71 2 1 1 17 180.296 2 ↓
Hi High (pH 8-9.5) 2.40 3.81 -2.83 1 1 0 12 179.288 2 ↓

Analogs

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Popular Name: 4-(azetidin-3-ylsulfanyl)phenol 4-(azetidin-3-ylsulfanyl)phenol

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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) 1.53 2.07 -44.65 3 2 1 37 182.268 2 ↓
Hi High (pH 8-9.5) 1.53 0.37 -4.6 2 2 0 32 181.26 2 ↓

Analogs

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Popular Name: 3-(m-tolylsulfanyl)azetidine 3-(m-tolylsulfanyl)azetidine

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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) 2.43 5.59 -41.89 2 1 1 17 180.296 2 ↓
Hi High (pH 8-9.5) 2.43 3.9 -2.89 1 1 0 12 179.288 2 ↓

Analogs

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Popular Name: 3-[(2-methoxyphenyl)sulfanyl]azetidine hydrochloride 3-[(2-methoxyphenyl)sulfanyl]aze…

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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) 2.01 4.26 -43.23 2 2 1 26 196.295 3 ↓
Hi High (pH 8-9.5) 2.01 2.57 -5.03 1 2 0 21 195.287 3 ↓

Analogs

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Popular Name: 2-(azetidin-3-ylsulfanyl)-5-chloro-aniline 2-(azetidin-3-ylsulfanyl)-5-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) 2.09 3.39 -44.2 4 2 1 43 215.729 2 ↓
Hi High (pH 8-9.5) 2.09 1.7 -2.79 3 2 0 38 214.721 2 ↓

Analogs

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Popular Name: 2-(azetidin-3-ylsulfanyl)-5-(trifluoromethyl)aniline 2-(azetidin-3-ylsulfanyl)-5-(tri…

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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) 2.31 3.89 -45.93 4 2 1 43 249.281 3 ↓
Hi High (pH 8-9.5) 2.31 2.2 -3.28 3 2 0 38 248.273 3 ↓

Analogs

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Popular Name: 2-(azetidin-3-ylsulfanyl)aniline 2-(azetidin-3-ylsulfanyl)aniline

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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) 1.44 2.87 -41.95 4 2 1 43 181.284 2 ↓
Hi High (pH 8-9.5) 1.44 1.18 -3.21 3 2 0 38 180.276 2 ↓

Analogs

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Popular Name: 2-(azetidin-3-ylsulfanyl)-5-methyl-aniline 2-(azetidin-3-ylsulfanyl)-5-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) 1.86 3.54 -41.96 4 2 1 43 195.311 2 ↓
Hi High (pH 8-9.5) 1.86 1.85 -3.26 3 2 0 38 194.303 2 ↓

Analogs

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Popular Name: 2-(azetidin-3-ylsulfanyl)-5-fluoro-aniline 2-(azetidin-3-ylsulfanyl)-5-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) 1.58 2.94 -45.11 4 2 1 43 199.274 2 ↓
Hi High (pH 8-9.5) 1.58 1.25 -3.22 3 2 0 38 198.266 2 ↓

Analogs

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Popular Name: 4-(azetidin-3-ylsulfanyl)-3-fluoro-aniline 4-(azetidin-3-ylsulfanyl)-3-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) 1.17 2.84 -45.02 4 2 1 43 199.274 2 ↓
Hi High (pH 8-9.5) 1.17 1.15 -5.15 3 2 0 38 198.266 2 ↓

Analogs

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Popular Name: 2-(azetidin-3-ylsulfanyl)-3-chloro-aniline 2-(azetidin-3-ylsulfanyl)-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) 2.07 3.5 -40.43 4 2 1 43 215.729 2 ↓
Hi High (pH 8-9.5) 2.07 1.81 -4.42 3 2 0 38 214.721 2 ↓

Analogs

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Popular Name: 4-(azetidin-3-ylsulfanyl)-3-chloro-aniline 4-(azetidin-3-ylsulfanyl)-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) 1.69 3.25 -43.67 4 2 1 43 215.729 2 ↓
Hi High (pH 8-9.5) 1.69 1.56 -4.13 3 2 0 38 214.721 2 ↓

Analogs

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Popular Name: 4-(azetidin-3-ylsulfanyl)-3-methyl-aniline 4-(azetidin-3-ylsulfanyl)-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) 1.46 3.36 -41.53 4 2 1 43 195.311 2 ↓
Hi High (pH 8-9.5) 1.46 1.67 -3.55 3 2 0 38 194.303 2 ↓

Analogs

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Popular Name: 4-(azetidin-3-ylsulfanyl)aniline 4-(azetidin-3-ylsulfanyl)aniline

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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) 1.08 2.8 -41.66 4 2 1 43 181.284 2 ↓
Hi High (pH 8-9.5) 1.08 1.1 -4.05 3 2 0 38 180.276 2 ↓

Analogs

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Popular Name: 2-(azetidin-3-ylsulfanyl)-5-bromo-aniline 2-(azetidin-3-ylsulfanyl)-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) 2.23 3.5 -44.22 4 2 1 43 260.18 2 ↓
Hi High (pH 8-9.5) 2.23 1.81 -2.71 3 2 0 38 259.172 2 ↓

Analogs

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Popular Name: 2-(azetidin-3-ylsulfanyl)phenol 2-(azetidin-3-ylsulfanyl)phenol

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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) 1.74 2.1 -43.87 3 2 1 37 182.268 2 ↓
Hi High (pH 8-9.5) 1.74 0.41 -4.61 2 2 0 32 181.26 2 ↓

Analogs

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Popular Name: 3-(3-chlorophenyl)sulfanylazetidine 3-(3-chlorophenyl)sulfanylazetidine

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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) 2.66 5.44 -41.35 2 1 1 17 200.714 2 ↓
Hi High (pH 8-9.5) 2.66 3.75 -2.61 1 1 0 12 199.706 2 ↓

Parameters Provided:

ring.id = 371136
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 = 371136 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=371136&filter.purchasability=annotated

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