UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8079967
8079967
8064052
8064052
8064158
8064158

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Popular Name: 2-[methyl-(1-piperidylmethylBLAHyl)-amino]ethanol 2-[methyl-(1-piperidylmethylBLAH…

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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) 2.37 -5.53 -33.78 2 5 1 53 347.508 5 ↓

Analogs

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Popular Name: 3-methyl-4-(BLAHylamino)phenol 3-methyl-4-(BLAHylamino)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) 3.97 8 -9.77 2 4 0 58 297.383 2 ↓

Analogs

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Popular Name: 5-methyl-2-(BLAHylamino)phenol 5-methyl-2-(BLAHylamino)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) 4.23 8.05 -8.46 2 4 0 58 297.383 2 ↓

Analogs

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Popular Name: N-(4-chloro-2,5-dimethoxy-phenyl)BLAHamine N-(4-chloro-2,5-dimethoxy-phenyl…

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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) 4.72 9.31 -9.09 1 5 0 56 361.854 4 ↓

Analogs

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Popular Name: N-(1-naphthyl)-N'-BLAHyl-ethane-1,2-diamine N-(1-naphthyl)-N'-BLAHyl-ethane-…

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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) 4.58 11.07 -10.67 2 4 0 50 360.486 5 ↓

Analogs

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Popular Name: 4-[methyl(BLAHyl)amino]phenol 4-[methyl(BLAHyl)amino]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) 3.40 7.34 -9.62 1 4 0 49 297.383 2 ↓

Analogs

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Popular Name: (5-chloro-2-fluoro-phenyl)BLAHamine (5-chloro-2-fluoro-phenyl)BLAHamine

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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) 4.45 8.79 -9.85 2 3 0 52 319.792 1 ↓

Analogs

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Popular Name: chloro(2-thienylmethyl)BLAH chloro(2-thienylmethyl)BLAH

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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) 4.72 8.89 -6.79 0 2 0 26 306.843 2 ↓

Analogs

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Popular Name: N-methyl-(2-thienylmethyl)BLAHamine N-methyl-(2-thienylmethyl)BLAHamine

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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 8.62 -9.53 1 3 0 38 301.44 3 ↓

Analogs

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Popular Name: N-ethyl-(2-thienylmethyl)BLAHamine N-ethyl-(2-thienylmethyl)BLAHamine

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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 9.45 -9.12 1 3 0 38 315.467 4 ↓

Analogs

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Popular Name: (2-thienylmethylBLAHyl)hydrazine (2-thienylmethylBLAHyl)hydrazine

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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 7.28 -9.9 3 4 0 64 302.428 3 ↓

Analogs

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Popular Name: (2-chloro-6-fluoro-phenyl)BLAHamine (2-chloro-6-fluoro-phenyl)BLAHamine

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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) 4.42 9.22 -12.01 2 3 0 52 319.792 1 ↓

Analogs

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Popular Name: 1-[2-(methylBLAHyl)sulfanylacetyl]-N-phenyl-piperidine-4-carboxamide 1-[2-(methylBLAHyl)sulfanylacety…

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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) 3.69 -3.39 -20.35 1 6 0 75 466.632 5 ↓

Analogs

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Popular Name: 5-[(aminoBLAHyl)sulfanylmethyl]-4-phenyl-1,2,4-triazole-3-thiol 5-[(aminoBLAHyl)sulfanylmethyl]-…

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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) 4.25 -3.54 -14.07 2 6 0 83 412.569 4 ↓

Analogs

20895018
20895018

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Popular Name: (2R)-N-(ethylcarbamoyl)-2-(methylBLAHyl)sulfanyl-propanamide (2R)-N-(ethylcarbamoyl)-2-(methy…

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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 7.3 -24.14 2 6 0 84 364.496 4 ↓

Analogs

20895015
20895015

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Popular Name: (2S)-N-(ethylcarbamoyl)-2-(methylBLAHyl)sulfanyl-propanamide (2S)-N-(ethylcarbamoyl)-2-(methy…

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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 7.3 -24.25 2 6 0 84 364.496 4 ↓

Analogs

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Popular Name: (1R)-1-[4-[[(methylBLAHyl)amino]methyl]phenyl]ethanol (1R)-1-[4-[[(methylBLAHyl)amino]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.99 7.96 -9.55 2 4 0 58 339.464 4 ↓

Analogs

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Popular Name: (1S)-1-[4-[[(methylBLAHyl)amino]methyl]phenyl]ethanol (1S)-1-[4-[[(methylBLAHyl)amino]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.99 7.99 -9.24 2 4 0 58 339.464 4 ↓

Analogs

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Popular Name: (1R,2S)-1-[(methylBLAHyl)amino]indan-2-ol (1R,2S)-1-[(methylBLAHyl)amino]i…

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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) 2.95 7.96 -11.1 2 4 0 58 337.448 2 ↓

Analogs

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Popular Name: N-(3-bromophenyl)-(morpholinomethyl)BLAHamine N-(3-bromophenyl)-(morpholinomet…

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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) 4.61 9.01 -9.18 1 5 0 50 445.386 4 ↓

Analogs

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Popular Name: methyl-N-(3-morpholinopropyl)BLAHamine methyl-N-(3-morpholinopropyl)BLA…

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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 5.96 -10.94 1 5 0 50 332.473 5 ↓

Analogs

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Popular Name: N-(2-methoxyphenyl)-2-[5-(BLAHylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]acetamide N-(2-methoxyphenyl)-2-[5-(BLAHyl…

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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) 3.36 7.56 -17.61 1 8 0 103 453.549 7 ↓

Analogs

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Popular Name: N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-BLAHylsulfanyl-acetamide N-cyclohexyl-N-[(3R)-1,1-dioxoth…

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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) 3.45 9.12 -18.32 0 6 0 80 465.666 5 ↓

Analogs

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Popular Name: N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-BLAHylsulfanyl-acetamide N-cyclohexyl-N-[(3S)-1,1-dioxoth…

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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) 3.45 9.19 -20.25 0 6 0 80 465.666 5 ↓

Analogs

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Popular Name: (3-morpholinosulfonylphenyl)methylsulfanylBLAH (3-morpholinosulfonylphenyl)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) 3.41 8.42 -14.3 0 6 0 72 447.607 5 ↓

Analogs

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Popular Name: 2-[methyl-(2-BLAHylsulfanylacetyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide 2-[methyl-(2-BLAHylsulfanylacety…

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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) 4.05 11.3 -17.62 1 6 0 75 480.537 7 ↓

Analogs

16766696
16766696

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Popular Name: 3-nitro-N'-(2-BLAHylsulfanylacetyl)benzohydrazide 3-nitro-N'-(2-BLAHylsulfanylacet…

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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) 2.51 8.59 -18.8 2 9 0 130 429.483 6 ↓

Analogs

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Popular Name: 4-fluoro-N'-(2-BLAHylsulfanylacetyl)benzohydrazide 4-fluoro-N'-(2-BLAHylsulfanylace…

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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) 2.74 7.97 -12.71 2 6 0 84 402.476 5 ↓

Analogs

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Popular Name: 4-nitro-N'-(2-BLAHylsulfanylacetyl)benzohydrazide 4-nitro-N'-(2-BLAHylsulfanylacet…

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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) 2.53 8.61 -15.4 2 9 0 130 429.483 6 ↓

Analogs

26498800
26498800

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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) 4.03 10.6 -18.24 1 6 0 81 413.524 6 ↓

Analogs

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Popular Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-BLAHylsulfanyl-acetamide N-(2-cyanoethyl)-N-(3,5-dimethyl…

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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) 4.01 13.48 -15.32 0 5 0 70 422.579 6 ↓

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) 3.25 11.6 -12.44 2 7 0 101 438.534 6 ↓

Analogs

28165083
28165083

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Popular Name: N-(3-chloro-4-cyano-phenyl)-2-BLAHylsulfanyl-acetamide N-(3-chloro-4-cyano-phenyl)-2-BL…

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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) 3.84 9.88 -16.54 1 5 0 79 400.916 4 ↓

Analogs

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Popular Name: 3-pyridyl-thieno[3,2-e]pyrimidin-4-ylsulfanyl-BLAH 3-pyridyl-thieno[3,2-e]pyrimidin…

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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) 4.90 11.52 -14.49 0 5 0 64 419.56 3 ↓

Analogs

6112836
6112836

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Popular Name: N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-BLAHylsulfanyl-acetamide N-[[4-(difluoromethoxy)phenyl]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) 4.04 11.02 -14.21 0 5 0 55 435.521 7 ↓

Analogs

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Popular Name: [2-(2-furylmethyl-methyl-amino)-2-oxo-ethyl] [2-(2-furylmethyl-methyl-amino)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.00 13.88 -20.22 0 7 0 86 479.583 8 ↓

Analogs

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Popular Name: 2-[(E)-(BLAHylhydrazono)methyl]benzoic 2-[(E)-(BLAHylhydrazono)methyl]b…

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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 9.5 -50.79 1 6 -1 90 337.384 4 ↓

Analogs

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Popular Name: 3-pyridyl-(1,2,4-triazol-4-yl)BLAH 3-pyridyl-(1,2,4-triazol-4-yl)BLAH

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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) 2.34 10.43 -10.87 0 6 0 69 320.381 2 ↓

Analogs

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Popular Name: 3-cyanopropyl 3-cyanopropyl

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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) 3.72 12.7 -16.83 0 5 0 76 395.509 7 ↓

Analogs

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Popular Name: chloro(phenoxymethyl)BLAH chloro(phenoxymethyl)BLAH

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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) 4.51 8.67 -8.39 0 3 0 35 316.813 3 ↓

Analogs

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Popular Name: chloro(2-furyl)BLAH chloro(2-furyl)BLAH

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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) 4.01 7.27 -9.38 0 3 0 39 276.748 1 ↓

Analogs

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Popular Name: 3-methyl-6-oxo-4-(BLAHylsulfanylmethyl)-7H-thieno[5,4-b]pyridine-2-carboxylic 3-methyl-6-oxo-4-(BLAHylsulfanyl…

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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 9.67 -47.81 1 6 -1 99 428.54 4 ↓

Analogs

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Popular Name: (3R)-1-(2-BLAHylsulfanylacetyl)piperidine-3-carboxylic (3R)-1-(2-BLAHylsulfanylacetyl)p…

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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) 2.05 9.04 -56.46 0 6 -1 86 376.483 4 ↓

Analogs

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Popular Name: (3S)-1-(2-BLAHylsulfanylacetyl)piperidine-3-carboxylic (3S)-1-(2-BLAHylsulfanylacetyl)p…

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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) 2.05 9.06 -56.41 0 6 -1 86 376.483 4 ↓

Analogs

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Popular Name: 2-[(2-BLAHylsulfanylacetyl)amino]terephthalic 2-[(2-BLAHylsulfanylacetyl)amino…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.41 8.77 -105.02 1 8 -2 135 427.463 6 ↓

Analogs

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Popular Name: 3-(BLAHylsulfanylmethyl)benzofuran-2-carboxylic 3-(BLAHylsulfanylmethyl)benzofur…

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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) 4.34 10.93 -58.06 0 5 -1 79 381.458 4 ↓

Analogs

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Popular Name: 2-(BLAHylsulfanylmethyl)furan-3-carboxylic 2-(BLAHylsulfanylmethyl)furan-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) 3.03 8.58 -55.8 0 5 -1 79 331.398 4 ↓

Analogs

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Popular Name: 6-methyl-4-oxo-2-(BLAHylsulfanylmethyl)-3H-furo[5,4-d]pyrimidine-5-carboxylic 6-methyl-4-oxo-2-(BLAHylsulfanyl…

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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 8.63 -62.62 1 8 -1 125 413.46 4 ↓
Hi High (pH 8-9.5) 2.72 6.16 -128.67 0 8 -2 128 412.452 4 ↓

Analogs

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Popular Name: (2S)-1-(2-BLAHylsulfanylacetyl)piperidine-2-carboxylic (2S)-1-(2-BLAHylsulfanylacetyl)p…

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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) 0.71 10.02 -66.63 0 6 -1 86 376.483 4 ↓

Analogs

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Popular Name: (2R)-1-(2-BLAHylsulfanylacetyl)piperidine-2-carboxylic (2R)-1-(2-BLAHylsulfanylacetyl)p…

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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) 0.71 10.09 -66.92 0 6 -1 86 376.483 4 ↓

Parameters Provided:

ring.id = 6275
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 = 6275 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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