UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35499861
35499861

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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) 2.45 6.88 -10.32 1 5 0 64 324.377 7 ↓

Analogs

35499859
35499859

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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) 2.45 6.89 -10.39 1 5 0 64 324.377 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.46 6.93 -10.71 1 5 0 64 324.377 8 ↓
Lo Low (pH 4.5-6) 2.46 7.41 -34.6 2 5 1 66 325.385 8 ↓

Analogs

35499923
35499923

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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) 2.73 7.47 -10.44 1 5 0 64 320.414 7 ↓

Analogs

35499921
35499921

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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) 2.73 7.49 -10.53 1 5 0 64 320.414 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.75 7.54 -10.71 1 5 0 64 320.414 8 ↓
Lo Low (pH 4.5-6) 2.75 8.02 -32.4 2 5 1 66 321.422 8 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.98 9.11 -12.5 1 5 0 64 348.468 10 ↓
Lo Low (pH 4.5-6) 2.98 9.6 -33.74 2 5 1 66 349.476 10 ↓

Analogs

35499937
35499937

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Popular Name: ethyl ethyl

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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 8.43 -10.13 1 5 0 64 334.441 8 ↓

Analogs

35499935
35499935

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Popular Name: ethyl ethyl

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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 8.41 -10.15 1 5 0 64 334.441 8 ↓

Analogs

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Popular Name: N,N-diethyl-2-[5-(hydroxymethyl)-1-(m-tolylmethyl)imidazol-2-yl]sulfanyl-acetamide N,N-diethyl-2-[5-(hydroxymethyl)…

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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) 2.61 8.06 -12.76 1 5 0 58 347.484 8 ↓
Lo Low (pH 4.5-6) 2.61 8.53 -34.24 2 5 1 60 348.492 8 ↓

Analogs

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Popular Name: N,N-diallyl-2-[5-(hydroxymethyl)-1-(m-tolylmethyl)imidazol-2-yl]sulfanyl-acetamide N,N-diallyl-2-[5-(hydroxymethyl)…

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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 9.2 -12.53 1 5 0 58 371.506 10 ↓
Lo Low (pH 4.5-6) 3.15 9.67 -33.87 2 5 1 60 372.514 10 ↓

Analogs

35499995
35499995

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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) 2.32 6.32 -11.37 1 6 0 74 336.413 8 ↓

Analogs

35499993
35499993

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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) 2.32 6.34 -11.13 1 6 0 74 336.413 8 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.33 6.37 -11.47 1 6 0 74 336.413 9 ↓
Lo Low (pH 4.5-6) 2.33 6.86 -30.72 2 6 1 75 337.421 9 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.56 7.95 -13.39 1 6 0 74 364.467 11 ↓
Lo Low (pH 4.5-6) 2.56 8.44 -32.3 2 6 1 75 365.475 11 ↓

Analogs

35500017
35500017

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Popular Name: ethyl ethyl

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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) 2.69 7.26 -10.86 1 6 0 74 350.44 9 ↓

Analogs

35500014
35500014

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Popular Name: ethyl ethyl

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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) 2.69 7.25 -11.04 1 6 0 74 350.44 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 1.96 5.48 -11.71 1 6 0 74 322.386 8 ↓
Lo Low (pH 4.5-6) 1.96 5.97 -31.02 2 6 1 75 323.394 8 ↓

Analogs

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Popular Name: N,N-diethyl-2-[5-(hydroxymethyl)-1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-acetamide N,N-diethyl-2-[5-(hydroxymethyl)…

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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 6.89 -13.38 1 6 0 68 363.483 9 ↓
Lo Low (pH 4.5-6) 2.20 7.37 -32.35 2 6 1 69 364.491 9 ↓

Analogs

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Popular Name: 2-[5-(hydroxymethyl)-1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N,N-diisopropyl-acetamide 2-[5-(hydroxymethyl)-1-[(2-metho…

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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) 2.79 7.42 -12.98 1 6 0 68 391.537 9 ↓
Lo Low (pH 4.5-6) 2.79 7.91 -31.35 2 6 1 69 392.545 9 ↓

Analogs

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Popular Name: N,N-diallyl-2-[5-(hydroxymethyl)-1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-acetamide N,N-diallyl-2-[5-(hydroxymethyl)…

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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) 2.73 8.08 -13.05 1 6 0 68 387.505 11 ↓
Lo Low (pH 4.5-6) 2.73 8.56 -32 2 6 1 69 388.513 11 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 3.17 8.01 -9.41 1 5 0 64 374.384 9 ↓
Lo Low (pH 4.5-6) 3.17 8.5 -33.8 2 5 1 66 375.392 9 ↓

Analogs

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Popular Name: 2-[5-(hydroxymethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]sulfanyl-N,N-diisopropyl-ace 2-[5-(hydroxymethyl)-1-[[2-(trif…

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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) 3.63 9.18 -11.65 1 5 0 58 429.508 9 ↓
Lo Low (pH 4.5-6) 3.63 9.79 -34.77 2 5 1 60 430.516 9 ↓

Analogs

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Popular Name: [3-[(4-methoxyphenyl)methyl]-2-prop-2-ynylsulfanyl-imidazol-4-yl]methanol [3-[(4-methoxyphenyl)methyl]-2-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) 2.30 5.73 -11.9 1 4 0 47 288.372 6 ↓
Lo Low (pH 4.5-6) 2.30 6.22 -31.13 2 4 1 49 289.38 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diallyl-2-[5-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-acetamide N,N-diallyl-2-[5-(hydroxymethyl)…

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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) 2.78 7.83 -14.28 1 6 0 68 387.505 11 ↓
Lo Low (pH 4.5-6) 2.78 8.31 -36.49 2 6 1 69 388.513 11 ↓

Analogs

35500145
35500145

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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) 2.31 6.81 -10.48 1 5 0 64 306.387 7 ↓

Analogs

35500142
35500142

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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) 2.31 6.83 -10.49 1 5 0 64 306.387 7 ↓

Analogs

35500149
35500149

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Popular Name: ethyl ethyl

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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) 2.69 7.75 -10.2 1 5 0 64 320.414 8 ↓

Analogs

35500147
35500147

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Popular Name: ethyl ethyl

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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) 2.69 7.74 -10.17 1 5 0 64 320.414 8 ↓

Analogs

35500169
35500169

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Popular Name: [2-allylsulfanyl-3-[(1S)-1-phenylethyl]imidazol-4-yl]methanol [2-allylsulfanyl-3-[(1S)-1-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) 3.09 6.54 -9.15 1 3 0 38 274.389 6 ↓
Lo Low (pH 4.5-6) 3.09 7.01 -25.25 2 3 1 39 275.397 6 ↓

Analogs

35500166
35500166

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Popular Name: [2-allylsulfanyl-3-[(1R)-1-phenylethyl]imidazol-4-yl]methanol [2-allylsulfanyl-3-[(1R)-1-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) 3.09 6.54 -9.26 1 3 0 38 274.389 6 ↓
Lo Low (pH 4.5-6) 3.09 7.02 -25.23 2 3 1 39 275.397 6 ↓

Analogs

35500173
35500173

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Popular Name: ethyl ethyl

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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) 2.69 6.92 -10.28 1 5 0 64 320.414 8 ↓
Mid Mid (pH 6-8) 2.69 7.41 -30.87 2 5 1 66 321.422 8 ↓

Analogs

35500171
35500171

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Popular Name: ethyl ethyl

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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) 2.69 6.92 -10.28 1 5 0 64 320.414 8 ↓
Mid Mid (pH 6-8) 2.69 7.41 -30.85 2 5 1 66 321.422 8 ↓

Analogs

35500210
35500210

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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) 2.31 5.99 -10.54 1 5 0 64 306.387 7 ↓
Mid Mid (pH 6-8) 2.31 6.48 -31.16 2 5 1 66 307.395 7 ↓

Analogs

35500209
35500209

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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) 2.31 6 -10.59 1 5 0 64 306.387 7 ↓
Mid Mid (pH 6-8) 2.31 6.48 -31.23 2 5 1 66 307.395 7 ↓

Analogs

35500218
35500218

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Popular Name: N,N-diethyl-2-[5-(hydroxymethyl)-1-[(1S)-1-phenylethyl]imidazol-2-yl]sulfanyl-acetamide N,N-diethyl-2-[5-(hydroxymethyl)…

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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) 2.55 7.44 -12.07 1 5 0 58 347.484 8 ↓
Mid Mid (pH 6-8) 2.55 7.92 -32.38 2 5 1 60 348.492 8 ↓

Analogs

35500216
35500216

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Popular Name: N,N-diethyl-2-[5-(hydroxymethyl)-1-[(1R)-1-phenylethyl]imidazol-2-yl]sulfanyl-acetamide N,N-diethyl-2-[5-(hydroxymethyl)…

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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) 2.55 7.44 -12.09 1 5 0 58 347.484 8 ↓
Mid Mid (pH 6-8) 2.55 7.92 -32.47 2 5 1 60 348.492 8 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 3.43 9.45 -12.8 1 5 0 64 402.438 11 ↓
Lo Low (pH 4.5-6) 3.43 9.95 -36.91 2 5 1 66 403.446 11 ↓

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) 2.82 6.95 -11.04 1 5 0 64 360.357 8 ↓
Lo Low (pH 4.5-6) 2.82 7.44 -35.74 2 5 1 66 361.365 8 ↓

Analogs

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Popular Name: [2-prop-2-ynylsulfanyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methanol [2-prop-2-ynylsulfanyl-3-[[3-(tr…

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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 7.45 -10.47 1 3 0 38 326.343 6 ↓
Lo Low (pH 4.5-6) 3.12 7.94 -31.81 2 3 1 39 327.351 6 ↓

Analogs

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Popular Name: 2-[5-(hydroxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]sulfanyl-N,N-diisopropyl-ace 2-[5-(hydroxymethyl)-1-[[3-(trif…

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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) 3.65 9.01 -11.95 1 5 0 58 429.508 9 ↓
Lo Low (pH 4.5-6) 3.65 9.63 -35.5 2 5 1 60 430.516 9 ↓

Analogs

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Popular Name: N,N-diallyl-2-[5-(hydroxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]sulfanyl-acetami N,N-diallyl-2-[5-(hydroxymethyl)…

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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) 3.60 9.55 -11.77 1 5 0 58 425.476 11 ↓
Lo Low (pH 4.5-6) 3.60 10.03 -37.28 2 5 1 60 426.484 11 ↓

Analogs

35500277
35500277

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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) 2.47 6.88 -11.41 1 5 0 64 324.377 7 ↓

Analogs

35500275
35500275

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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) 2.47 6.89 -11.42 1 5 0 64 324.377 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.49 6.93 -11.69 1 5 0 64 324.377 8 ↓
Lo Low (pH 4.5-6) 2.49 7.41 -36.12 2 5 1 66 325.385 8 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.72 8.5 -13.53 1 5 0 64 352.431 10 ↓
Lo Low (pH 4.5-6) 2.72 8.98 -37.47 2 5 1 66 353.439 10 ↓

Analogs

35500290
35500290

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Popular Name: ethyl ethyl

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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) 2.85 7.82 -11.19 1 5 0 64 338.404 8 ↓

Analogs

35500288
35500288

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Popular Name: ethyl ethyl

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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) 2.85 7.8 -11.19 1 5 0 64 338.404 8 ↓

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) 2.11 6 -12 1 5 0 64 310.35 7 ↓
Lo Low (pH 4.5-6) 2.11 6.49 -36.49 2 5 1 66 311.358 7 ↓

Analogs

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Popular Name: N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methyl-propan-1-amine N-[[1-[(2-fluorophenyl)methyl]im…

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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) 2.49 8.83 -47.13 2 3 1 34 262.352 6 ↓
Hi High (pH 8-9.5) 2.49 7.61 -6.48 1 3 0 30 261.344 6 ↓

Parameters Provided:

ring.id = 17993
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 = 17993 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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