UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(3-bromophenyl)-1-(3-methyl-1,1-dioxo-thiolan-3-yl)-urea 3-(3-bromophenyl)-1-(3-methyl-1,…

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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) 2.20 -6.98 -13.38 2 5 0 75 347.234 2 ↓

Analogs

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Popular Name: 3-(2-bromo-4-fluoro-phenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-1-methyl-urea 3-(2-bromo-4-fluoro-phenyl)-1-[(…

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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) 2.11 3.83 -16.17 1 5 0 66 365.224 2 ↓

Analogs

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Popular Name: 3-(2-bromo-4-fluoro-phenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-urea 3-(2-bromo-4-fluoro-phenyl)-1-[(…

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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) 2.11 3.84 -14.8 1 5 0 66 365.224 2 ↓

Analogs

40166736
40166736
40166737
40166737
40166738
40166738
40166739
40166739
40166864
40166864

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Popular Name: 3-[(3R)-1,1-dioxothiolan-3-yl]-1-(2-hydroxy-5-nitro-phenyl)urea 3-[(3R)-1,1-dioxothiolan-3-yl]-1…

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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) 0.63 -1.07 -24.03 3 9 0 141 315.307 3 ↓

Analogs

40166736
40166736
40166737
40166737
40166738
40166738
40166739
40166739
40166864
40166864

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Popular Name: 3-[(3S)-1,1-dioxothiolan-3-yl]-1-(2-hydroxy-5-nitro-phenyl)urea 3-[(3S)-1,1-dioxothiolan-3-yl]-1…

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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) 0.63 -1.05 -22.75 3 9 0 141 315.307 3 ↓

Analogs

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Popular Name: 1-(2-chloro-4-methoxy-phenyl)-3-[(3S)-1,1-dioxothiolan-3-yl]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) 1.63 0.87 -15.63 2 6 0 85 318.782 3 ↓

Analogs

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Popular Name: 3-(4-aminophenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-1-methyl-urea 3-(4-aminophenyl)-1-[(3R)-1,1-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) 0.29 0.86 -19.26 3 6 0 93 283.353 2 ↓

Analogs

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Popular Name: 3-(4-aminophenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-urea 3-(4-aminophenyl)-1-[(3S)-1,1-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) 0.29 0.87 -17.92 3 6 0 93 283.353 2 ↓

Analogs

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Popular Name: 3-(3-aminophenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-1-methyl-urea 3-(3-aminophenyl)-1-[(3R)-1,1-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) 0.26 0.86 -19.17 3 6 0 93 283.353 2 ↓

Analogs

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Popular Name: 3-(3-aminophenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-urea 3-(3-aminophenyl)-1-[(3S)-1,1-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) 0.26 0.87 -17.79 3 6 0 93 283.353 2 ↓

Analogs

44881532
44881532

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Popular Name: 3-[4-(aminomethyl)phenyl]-1-[(3R)-1,1-dioxothiolan-3-yl]-1-methyl-urea 3-[4-(aminomethyl)phenyl]-1-[(3R…

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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) 0.39 1.02 -59.31 4 6 1 94 298.388 3 ↓

Analogs

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Popular Name: 3-[4-(aminomethyl)phenyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-urea 3-[4-(aminomethyl)phenyl]-1-[(3S…

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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) 0.39 1.03 -58.9 4 6 1 94 298.388 3 ↓

Analogs

44881541
44881541

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Popular Name: 3-[3-(aminomethyl)phenyl]-1-[(3R)-1,1-dioxothiolan-3-yl]-1-methyl-urea 3-[3-(aminomethyl)phenyl]-1-[(3R…

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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) 0.37 1.02 -65.41 4 6 1 94 298.388 3 ↓

Analogs

44881541
44881541

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Popular Name: 3-[3-(aminomethyl)phenyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-urea 3-[3-(aminomethyl)phenyl]-1-[(3S…

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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) 0.37 1.03 -64.46 4 6 1 94 298.388 3 ↓

Analogs

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Popular Name: 1-[4-(dimethylamino)-2-methyl-phenyl]-3-[(3S)-1,1-dioxothiolan-3-yl]urea 1-[4-(dimethylamino)-2-methyl-ph…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.44 2.27 -17.74 2 6 0 79 311.407 3 ↓
Lo Low (pH 4.5-6) 1.44 3.06 -86.37 3 6 0 80 312.415 3 ↓

Analogs

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Popular Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-3-(2-isopropoxyphenyl)urea 1-[(3S)-1,1-dioxothiolan-3-yl]-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) 1.71 1.94 -15.95 2 6 0 85 312.391 4 ↓

Analogs

40167136
40167136
40167138
40167138

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Popular Name: 3-(1,1-dioxothiolan-3-yl)-1-(3-nitrophenyl)-urea 3-(1,1-dioxothiolan-3-yl)-1-(3-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) 0.90 1.69 -26.03 2 8 0 121 299.308 3 ↓

Analogs

40167136
40167136
40167138
40167138

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Popular Name: 3-(1,1-dioxothiolan-3-yl)-1-(3-nitrophenyl)-urea 3-(1,1-dioxothiolan-3-yl)-1-(3-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) 0.90 1.67 -18.76 2 8 0 121 299.308 3 ↓

Analogs

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Popular Name: 2-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]-5-iodo-benzoic 2-[[(3R)-1,1-dioxothiolan-3-yl]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) 2.07 2.98 -47.78 2 7 -1 115 423.208 3 ↓

Analogs

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Popular Name: 2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]-5-iodo-benzoic 2-[[(3S)-1,1-dioxothiolan-3-yl]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) 2.07 2.96 -48.06 2 7 -1 115 423.208 3 ↓

Analogs

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Popular Name: 3-bromo-2-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]benzoic 3-bromo-2-[[(3R)-1,1-dioxothiola…

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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) 1.77 2.44 -50.4 2 7 -1 115 376.208 3 ↓

Analogs

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Popular Name: 3-bromo-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]benzoic 3-bromo-2-[[(3S)-1,1-dioxothiola…

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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) 1.77 2.56 -53.2 2 7 -1 115 376.208 3 ↓

Analogs

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Popular Name: 4-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]-3-fluoro-benzoic 4-[[(3R)-1,1-dioxothiolan-3-yl]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) 0.97 1.65 -56.79 2 7 -1 115 315.302 3 ↓

Analogs

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Popular Name: 4-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]-3-fluoro-benzoic 4-[[(3S)-1,1-dioxothiolan-3-yl]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) 0.97 1.65 -56.3 2 7 -1 115 315.302 3 ↓

Analogs

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Popular Name: 1-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-ethoxy-2-methyl-phenyl)urea 1-[(3R)-1,1-dioxothiolan-3-yl]-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) 1.77 2.09 -18.42 2 6 0 85 312.391 4 ↓

Analogs

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Popular Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-ethoxy-2-methyl-phenyl)urea 1-[(3S)-1,1-dioxothiolan-3-yl]-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) 1.77 2.1 -17.69 2 6 0 85 312.391 4 ↓

Analogs

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Popular Name: 1-[3-(difluoromethoxy)-2-methyl-phenyl]-3-[(3R)-1,1-dioxothiolan-3-yl]urea 1-[3-(difluoromethoxy)-2-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) 1.93 1.48 -20.07 2 6 0 85 334.344 4 ↓

Analogs

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Popular Name: 1-[3-(difluoromethoxy)-2-methyl-phenyl]-3-[(3S)-1,1-dioxothiolan-3-yl]urea 1-[3-(difluoromethoxy)-2-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) 1.93 1.48 -19.32 2 6 0 85 334.344 4 ↓

Analogs

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Popular Name: 1-[(3R)-1,1-dioxothiolan-3-yl]-3-(2-fluoro-4-isopropoxy-phenyl)urea 1-[(3R)-1,1-dioxothiolan-3-yl]-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) 1.85 1.97 -16.13 2 6 0 85 330.381 4 ↓

Analogs

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Popular Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-3-(2-fluoro-4-isopropoxy-phenyl)urea 1-[(3S)-1,1-dioxothiolan-3-yl]-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) 1.85 2 -15.63 2 6 0 85 330.381 4 ↓

Analogs

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Popular Name: 1-(3-chloro-2-methoxy-phenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]urea 1-(3-chloro-2-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) 1.60 1.04 -16.29 2 6 0 85 318.782 3 ↓

Analogs

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Popular Name: 1-(3-chloro-2-methoxy-phenyl)-3-[(3S)-1,1-dioxothiolan-3-yl]urea 1-(3-chloro-2-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) 1.60 1.06 -15.82 2 6 0 85 318.782 3 ↓

Analogs

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Popular Name: 1-(5-chloro-2-methylsulfanyl-phenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]urea 1-(5-chloro-2-methylsulfanyl-phe…

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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 2.65 -17.33 2 5 0 75 334.85 3 ↓

Analogs

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Popular Name: 1-(5-chloro-2-methylsulfanyl-phenyl)-3-[(3S)-1,1-dioxothiolan-3-yl]urea 1-(5-chloro-2-methylsulfanyl-phe…

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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 2.63 -16.53 2 5 0 75 334.85 3 ↓

Analogs

41703369
41703369
41703371
41703371

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Popular Name: 3-(4-acetylphenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-1-methyl-urea 3-(4-acetylphenyl)-1-[(3R)-1,1-d…

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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) 1.11 3.47 -25.64 1 6 0 84 310.375 3 ↓

Analogs

41703369
41703369
41703371
41703371

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Popular Name: 3-(4-acetylphenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-urea 3-(4-acetylphenyl)-1-[(3S)-1,1-d…

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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) 1.11 3.49 -23.97 1 6 0 84 310.375 3 ↓

Analogs

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Popular Name: 3-(2,3-difluorophenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-1-methyl-urea 3-(2,3-difluorophenyl)-1-[(3R)-1…

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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 3.15 -17.61 1 5 0 66 304.318 2 ↓

Analogs

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Popular Name: 3-(2,3-difluorophenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-urea 3-(2,3-difluorophenyl)-1-[(3S)-1…

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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 3.16 -16.11 1 5 0 66 304.318 2 ↓

Analogs

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Popular Name: 1-(2,3-difluorophenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]urea 1-(2,3-difluorophenyl)-3-[(3R)-1…

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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) 1.20 1.15 -16.54 2 5 0 75 290.291 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,3-difluorophenyl)-3-[(3S)-1,1-dioxothiolan-3-yl]urea 1-(2,3-difluorophenyl)-3-[(3S)-1…

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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) 1.20 1.14 -16.08 2 5 0 75 290.291 2 ↓

Analogs

43333454
43333454
43333455
43333455
48473722
48473722
48473724
48473724
48475460
48475460

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[3-[(1S)-1-hydroxyethyl]phenyl]urea 1-[(3R)-1,1-dioxothiolan-3-yl]-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) 0.51 -0.87 -18.99 3 6 0 95 298.364 3 ↓

Analogs

43333454
43333454
43333455
43333455
48473722
48473722
48473724
48473724
48475460
48475460

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[3-[(1R)-1-hydroxyethyl]phenyl]urea 1-[(3R)-1,1-dioxothiolan-3-yl]-3…

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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) 0.51 -0.9 -19.52 3 6 0 95 298.364 3 ↓

Analogs

43333454
43333454
43333455
43333455
48473722
48473722
48473724
48473724
48475460
48475460

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-3-[3-[(1S)-1-hydroxyethyl]phenyl]urea 1-[(3S)-1,1-dioxothiolan-3-yl]-3…

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) 0.51 -0.85 -18.33 3 6 0 95 298.364 3 ↓

Analogs

43333454
43333454
43333455
43333455
48473722
48473722
48473724
48473724
48475460
48475460

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-3-[3-[(1R)-1-hydroxyethyl]phenyl]urea 1-[(3S)-1,1-dioxothiolan-3-yl]-3…

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) 0.51 -0.88 -18.74 3 6 0 95 298.364 3 ↓

Analogs

48469610
48469610
48469611
48469611
48470486
48470486
48470488
48470488
48470490
48470490

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[4-[(1S)-1-hydroxyethyl]phenyl]urea 1-[(3R)-1,1-dioxothiolan-3-yl]-3…

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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) 0.53 -0.73 -18.74 3 6 0 95 298.364 3 ↓

Analogs

48469610
48469610
48469611
48469611
48470486
48470486
48470488
48470488
48470490
48470490

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[4-[(1R)-1-hydroxyethyl]phenyl]urea 1-[(3R)-1,1-dioxothiolan-3-yl]-3…

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) 0.53 -0.78 -18.92 3 6 0 95 298.364 3 ↓

Analogs

48469610
48469610
48469611
48469611
48470486
48470486
48470488
48470488
48470490
48470490

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-3-[4-[(1S)-1-hydroxyethyl]phenyl]urea 1-[(3S)-1,1-dioxothiolan-3-yl]-3…

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) 0.53 -0.75 -18.27 3 6 0 95 298.364 3 ↓

Analogs

48469610
48469610
48469611
48469611
48470486
48470486
48470488
48470488
48470490
48470490

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-3-[4-[(1R)-1-hydroxyethyl]phenyl]urea 1-[(3S)-1,1-dioxothiolan-3-yl]-3…

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) 0.53 -0.8 -17.99 3 6 0 95 298.364 3 ↓

Analogs

43333454
43333454
43333455
43333455
48473722
48473722
48473724
48473724

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[3-[(1S)-1-hydroxyethyl]phenyl]-1-methyl-urea 1-[(3R)-1,1-dioxothiolan-3-yl]-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) 0.75 1.13 -19.86 2 6 0 87 312.391 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[3-[(1R)-1-hydroxyethyl]phenyl]-1-methyl-urea 1-[(3R)-1,1-dioxothiolan-3-yl]-3…

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) 0.75 1.11 -20.6 2 6 0 87 312.391 3 ↓

Parameters Provided:

ring.id = 1780
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 = 1780 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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