UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4-bromophenyl)-(trifluoromethyl)BLAHone (4-bromophenyl)-(trifluoromethyl…

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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 10.61 -12.76 0 6 0 65 410.153 2 ↓

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) 2.83 11.57 -15.85 0 8 0 91 403.32 5 ↓

Analogs

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Popular Name: (3-methoxyphenyl)-(trifluoromethyl)BLAHone (3-methoxyphenyl)-(trifluorometh…

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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) 2.52 9.28 -13.81 0 7 0 74 361.283 3 ↓

Analogs

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Popular Name: (2-methoxyphenyl)-(trifluoromethyl)BLAHone (2-methoxyphenyl)-(trifluorometh…

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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) 2.50 9.42 -13.75 0 7 0 74 361.283 3 ↓

Analogs

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Popular Name: (3-chloro-4-fluoro-phenyl)-(trifluoromethyl)BLAHone (3-chloro-4-fluoro-phenyl)-(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) 3.26 10.55 -14.25 0 6 0 65 383.692 2 ↓

Analogs

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Popular Name: (3,5-dimethoxyphenyl)-(trifluoromethyl)BLAHone (3,5-dimethoxyphenyl)-(trifluoro…

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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 8.59 -14.25 0 8 0 84 391.309 4 ↓

Analogs

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Popular Name: (2,5-dimethoxyphenyl)-(trifluoromethyl)BLAHone (2,5-dimethoxyphenyl)-(trifluoro…

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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 8.7 -14.52 0 8 0 84 391.309 4 ↓

Analogs

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Popular Name: (5-chloro-2-methoxy-phenyl)-(trifluoromethyl)BLAHone (5-chloro-2-methoxy-phenyl)-(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) 3.37 9.94 -13.5 0 7 0 74 395.728 3 ↓

Analogs

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Popular Name: (2,4-dimethoxyphenyl)-(trifluoromethyl)BLAHone (2,4-dimethoxyphenyl)-(trifluoro…

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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 8.72 -14.29 0 8 0 84 391.309 4 ↓

Analogs

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Popular Name: 2-methyl-N-(oxoBLAHyl)propanamide 2-methyl-N-(oxoBLAHyl)propanamide

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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) 0.21 7.03 -17.17 1 8 0 94 272.268 2 ↓

Analogs

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Popular Name: 2-methyl-N-[oxo(phenyl)BLAHyl]propanamide 2-methyl-N-[oxo(phenyl)BLAHyl]pr…

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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 9.93 -19.12 1 8 0 94 348.366 3 ↓

Analogs

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Popular Name: 2-methyl-N-[oxo(3-pyridyl)BLAHyl]propanamide 2-methyl-N-[oxo(3-pyridyl)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) 1.25 8.15 -18.56 1 9 0 107 349.354 3 ↓

Analogs

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Popular Name: 2-methoxy-N-(oxoBLAHyl)acetamide 2-methoxy-N-(oxoBLAHyl)acetamide

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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) -0.93 5.77 -20.87 1 9 0 103 274.24 3 ↓

Analogs

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Popular Name: 2-methoxy-N-[methyl(oxo)BLAHyl]acetamide 2-methoxy-N-[methyl(oxo)BLAHyl]a…

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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) -0.84 5.64 -21.38 1 9 0 103 288.267 3 ↓

Analogs

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Popular Name: 2-methoxy-N-[oxo(phenyl)BLAHyl]acetamide 2-methoxy-N-[oxo(phenyl)BLAHyl]a…

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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) 1.19 8.68 -22.47 1 9 0 103 350.338 4 ↓

Analogs

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Popular Name: thiazol-2-ylBLAHone thiazol-2-ylBLAHone

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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) 0.76 8.27 -18.2 0 7 0 78 270.277 1 ↓

Analogs

40175424
40175424

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Popular Name: (2-aminophenyl)BLAHone (2-aminophenyl)BLAHone

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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) 0.93 8.16 -13.73 2 7 0 91 278.275 1 ↓

Analogs

40175425
40175425

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Popular Name: (2-hydroxyphenyl)BLAHone (2-hydroxyphenyl)BLAHone

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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) 1.22 7.9 -46.41 0 7 -1 88 278.251 1 ↓

Analogs

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Popular Name: ethylBLAHone ethylBLAHone

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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) 0.06 7.41 -16.36 0 6 0 65 215.216 1 ↓

Analogs

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Popular Name: 2-hydroxyethylBLAHone 2-hydroxyethylBLAHone

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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) -0.95 4.65 -20.18 1 7 0 85 231.215 2 ↓

Analogs

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Popular Name: cyclopropylBLAHone cyclopropylBLAHone

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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) 0.05 7.87 -14.63 0 6 0 65 227.227 1 ↓

Analogs

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Popular Name: 2-(oxoBLAHyl)benzoic 2-(oxoBLAHyl)benzoic

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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) 1.01 10.77 -54.8 0 8 -1 105 306.261 2 ↓

Analogs

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Popular Name: (4-methoxyphenyl)-[[(2S)-tetrahydrofuran-2-yl]methyl]BLAHone (4-methoxyphenyl)-[[(2S)-tetrahy…

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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 9.92 -16.95 0 8 0 84 377.404 4 ↓

Analogs

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Popular Name: (4-methoxyphenyl)-[[(2R)-tetrahydrofuran-2-yl]methyl]BLAHone (4-methoxyphenyl)-[[(2R)-tetrahy…

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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 9.95 -16.88 0 8 0 84 377.404 4 ↓

Analogs

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Popular Name: 7-(2-aminoethyl)-2-methylpyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one 7-(2-aminoethyl)-2-methylpyrido[…

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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) -1.43 4.65 -69.69 3 7 1 93 245.266 2 ↓

Analogs

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Popular Name: (4-chlorophenyl)-(3-hydroxypropyl)BLAHone (4-chlorophenyl)-(3-hydroxypropy…

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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 8.25 -19 1 7 0 85 355.785 4 ↓

Analogs

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Popular Name: (4-methoxyphenyl)-(4-pyridyl)BLAHone (4-methoxyphenyl)-(4-pyridyl)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) 2.16 10.28 -16.06 0 8 0 87 370.372 3 ↓
Lo Low (pH 4.5-6) 2.16 10.74 -47.24 1 8 1 88 371.38 3 ↓

Analogs

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Popular Name: cyclohexyl-(4-fluorophenyl)BLAHone cyclohexyl-(4-fluorophenyl)BLAHone

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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) 3.44 12.76 -13.94 0 6 0 65 363.396 2 ↓

Analogs

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Popular Name: (4-chlorophenyl)-cyclohexyl-BLAHone (4-chlorophenyl)-cyclohexyl-BLAHone

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.95 13.21 -13.42 0 6 0 65 379.851 2 ↓

Analogs

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Popular Name: butyl(4-pyridyl)BLAHone butyl(4-pyridyl)BLAHone

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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) 1.95 10.08 -17.54 0 7 0 78 320.356 4 ↓
Lo Low (pH 4.5-6) 1.95 10.53 -48.05 1 7 1 79 321.364 4 ↓

Analogs

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Popular Name: cyclohexyl-(4-methoxyphenyl)BLAHone cyclohexyl-(4-methoxyphenyl)BLAHone

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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) 3.33 11.98 -14.41 0 7 0 74 375.432 3 ↓

Analogs

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Popular Name: 3-hydroxypropyl(4-pyridyl)BLAHone 3-hydroxypropyl(4-pyridyl)BLAHone

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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) 0.15 5.95 -20.43 1 8 0 98 322.328 4 ↓
Lo Low (pH 4.5-6) 0.15 6.41 -50.78 2 8 1 99 323.336 4 ↓

Analogs

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Popular Name: cyclohexyl-(4-phenoxyphenyl)BLAHone cyclohexyl-(4-phenoxyphenyl)BLAHone

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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) 5.03 15.54 -15.45 0 7 0 74 437.503 4 ↓

Analogs

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Popular Name: cyclohexyl(p-tolyl)BLAHone cyclohexyl(p-tolyl)BLAHone

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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 13.37 -13.33 0 6 0 65 359.433 2 ↓

Analogs

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Popular Name: phenyl(3-pyridyl)BLAHone phenyl(3-pyridyl)BLAHone

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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 10.97 -15.37 0 7 0 78 340.346 2 ↓

Analogs

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Popular Name: (4-chlorophenyl)-(2-hydroxyethyl)BLAHone (4-chlorophenyl)-(2-hydroxyethyl…

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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) 1.84 8.07 -20.07 1 7 0 85 341.758 3 ↓

Analogs

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Popular Name: (2-chlorophenyl)-(1H-1,2,4-triazol-5-yl)BLAHone (2-chlorophenyl)-(1H-1,2,4-triaz…

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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) 2.22 13.27 -20.87 1 9 0 107 364.756 2 ↓

Analogs

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Popular Name: 2-hydroxyethyl(4-pyridyl)BLAHone 2-hydroxyethyl(4-pyridyl)BLAHone

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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) -0.12 5.78 -21.54 1 8 0 98 308.301 3 ↓
Lo Low (pH 4.5-6) -0.12 6.24 -51.78 2 8 1 99 309.309 3 ↓

Analogs

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Popular Name: cyclohexyl-(4-ethylphenyl)BLAHone cyclohexyl-(4-ethylphenyl)BLAHone

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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) 4.19 14.14 -13.16 0 6 0 65 373.46 3 ↓

Analogs

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Popular Name: cyclohexyl-(3,4-dimethylphenyl)BLAHone cyclohexyl-(3,4-dimethylphenyl)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) 4.31 13.92 -13.28 0 6 0 65 373.46 2 ↓

Analogs

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Popular Name: phenyl(4-pyridyl)BLAHone phenyl(4-pyridyl)BLAHone

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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 10.98 -15.17 0 7 0 78 340.346 2 ↓
Lo Low (pH 4.5-6) 2.11 11.44 -46.03 1 7 1 79 341.354 2 ↓

Analogs

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Popular Name: (5-chloro-2-methyl-phenyl)-(methoxymethyl)BLAHone (5-chloro-2-methyl-phenyl)-(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) 2.82 10.17 -15.71 0 7 0 74 355.785 3 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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