UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

40973128
40973128

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Popular Name: 5-[1-[(1R,2S)-2-hydroxycyclopentyl]-3-(4-pyridyl)pyrazol-4-yl]indan-1-one 5-[1-[(1R,2S)-2-hydroxycyclopent…

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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) 2.57 6.01 -12.67 2 6 0 84 374.444 3 ↓
Lo Low (pH 4.5-6) 2.57 6.47 -38.77 3 6 1 85 375.452 3 ↓

Analogs

40973128
40973128

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Popular Name: 5-[1-[(1R,2R)-2-hydroxycyclopentyl]-3-(4-pyridyl)pyrazol-4-yl]indan-1-one 5-[1-[(1R,2R)-2-hydroxycyclopent…

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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) 2.57 5.63 -13.37 2 6 0 84 374.444 3 ↓
Lo Low (pH 4.5-6) 2.57 6.09 -40.34 3 6 1 85 375.452 3 ↓

Analogs

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Popular Name: 5-[3-(3-hydroxy-4-pyridyl)-1-methyl-pyrazol-4-yl]indan-1-one 5-[3-(3-hydroxy-4-pyridyl)-1-met…

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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) 2.25 4.96 -35.32 2 6 0 88 320.352 2 ↓
Hi High (pH 8-9.5) 2.25 4.49 -56.75 1 6 -1 86 319.344 2 ↓
Mid Mid (pH 6-8) 2.25 3.72 -13.34 2 6 0 84 320.352 2 ↓

Analogs

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Popular Name: 1-[(Z)-indan-1-ylideneamino]-3-[(1S)-2-methoxy-1-methyl-ethyl]thiourea 1-[(Z)-indan-1-ylideneamino]-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) 2.37 7.18 -11.06 2 4 0 46 277.393 6 ↓

Analogs

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Popular Name: 1-[(Z)-indan-1-ylideneamino]-3-[(1R)-2-methoxy-1-methyl-ethyl]thiourea 1-[(Z)-indan-1-ylideneamino]-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) 2.37 7.18 -11.12 2 4 0 46 277.393 6 ↓

Analogs

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Popular Name: 1-[(E)-indan-1-ylideneamino]-3-(2-nitrophenyl)thiourea 1-[(E)-indan-1-ylideneamino]-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) 3.71 10.65 -49.58 1 6 -1 83 325.373 4 ↓
Mid Mid (pH 6-8) 3.71 10.85 -13.9 2 6 0 84 326.381 4 ↓
Mid Mid (pH 6-8) 3.71 10.77 -13.07 2 6 0 84 326.381 4 ↓

Analogs

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Popular Name: 1-(2,4-difluorophenyl)-3-[(Z)-indan-1-ylideneamino]thiourea 1-(2,4-difluorophenyl)-3-[(Z)-in…

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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 10.08 -9.4 2 3 0 36 317.364 4 ↓

Analogs

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Popular Name: 4-[(2S)-3,3,3-trifluoro-2-hydroxy-propoxy]indan-1-one 4-[(2S)-3,3,3-trifluoro-2-hydrox…

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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) 2.08 1.72 -8.21 2 4 0 62 275.226 4 ↓
Hi High (pH 8-9.5) 2.08 2.26 -43.03 1 4 -1 65 274.218 4 ↓

Analogs

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Popular Name: 4-[(2R)-3,3,3-trifluoro-2-hydroxy-propoxy]indan-1-one 4-[(2R)-3,3,3-trifluoro-2-hydrox…

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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) 2.08 1.72 -8.21 2 4 0 62 275.226 4 ↓
Hi High (pH 8-9.5) 2.08 2.26 -43.04 1 4 -1 65 274.218 4 ↓

Analogs

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Popular Name: (1R,3E)-3-hydroxyiminoindane-1-carboxylic (1R,3E)-3-hydroxyiminoindane-1-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) 0.83 3.88 -48.63 1 4 -1 73 190.178 1 ↓

Analogs

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Popular Name: (1S,3E)-3-hydroxyiminoindane-1-carboxylic (1S,3E)-3-hydroxyiminoindane-1-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) 0.83 3.79 -47.1 1 4 -1 73 190.178 1 ↓

Analogs

13138404
13138404

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Popular Name: N-(2,5-dimethylphenyl)-N'-(indan-1-ylideneamino)-1-sulfanyl-formamidine N-(2,5-dimethylphenyl)-N'-(indan…

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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) 4.62 11.08 -9.92 2 3 0 38 309.438 3 ↓

Analogs

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Popular Name: 2-[(E)-indan-1-ylideneamino]oxyacetic 2-[(E)-indan-1-ylideneamino]oxya…

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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) 1.31 7.19 -50.78 0 4 -1 62 204.205 3 ↓

Analogs

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Popular Name: 4-[(2S)-2-hydroxy-3-methoxy-propoxy]indan-1-one 4-[(2S)-2-hydroxy-3-methoxy-prop…

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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) 1.14 0.7 -10.71 2 5 0 71 251.282 5 ↓

Analogs

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Popular Name: 4-[(2R)-2-hydroxy-3-methoxy-propoxy]indan-1-one 4-[(2R)-2-hydroxy-3-methoxy-prop…

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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) 1.14 0.7 -10.69 2 5 0 71 251.282 5 ↓

Analogs

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Popular Name: 4-[(2R)-2-methylbutoxy]indan-1-one 4-[(2R)-2-methylbutoxy]indan-1-one

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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) 3.42 5.72 -5.68 1 3 0 42 233.311 4 ↓

Analogs

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Popular Name: 4-[(2S)-2-methylbutoxy]indan-1-one 4-[(2S)-2-methylbutoxy]indan-1-one

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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) 3.42 5.72 -5.66 1 3 0 42 233.311 4 ↓

Analogs

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Popular Name: 4-[[(2S)-tetrahydrofuran-2-yl]methoxy]indan-1-one 4-[[(2S)-tetrahydrofuran-2-yl]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) 2.17 4.03 -8.52 1 4 0 51 247.294 3 ↓

Analogs

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Popular Name: 4-[[(2R)-tetrahydrofuran-2-yl]methoxy]indan-1-one 4-[[(2R)-tetrahydrofuran-2-yl]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) 2.17 3.94 -8.57 1 4 0 51 247.294 3 ↓

Analogs

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Popular Name: 3-[(1E)-1-hydroxyiminoindan-4-yl]oxy-N-isopropyl-propanamide 3-[(1E)-1-hydroxyiminoindan-4-yl…

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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 3.59 -10.43 2 5 0 71 276.336 5 ↓

Analogs

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Popular Name: N-cyclopropyl-3-[(1E)-1-hydroxyiminoindan-4-yl]oxy-propanamide N-cyclopropyl-3-[(1E)-1-hydroxyi…

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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) 1.54 3.66 -10.44 2 5 0 71 274.32 5 ↓

Analogs

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Popular Name: 4-(pyrimidin-2-ylmethoxy)indan-1-one 4-(pyrimidin-2-ylmethoxy)indan-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) 1.36 3.9 -11.11 1 5 0 68 255.277 3 ↓

Analogs

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Popular Name: 3-[[(1E)-1-hydroxyiminoindan-4-yl]oxymethyl]pyridine-2-carbonitrile 3-[[(1E)-1-hydroxyiminoindan-4-y…

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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 5.19 -10.78 1 5 0 79 279.299 3 ↓

Analogs

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Popular Name: (2S)-2-[(1E)-1-hydroxyiminoindan-4-yl]oxybutanamide (2S)-2-[(1E)-1-hydroxyiminoindan…

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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) 1.40 1.91 -14.62 3 5 0 85 248.282 4 ↓

Analogs

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Popular Name: (2R)-2-[(1E)-1-hydroxyiminoindan-4-yl]oxybutanamide (2R)-2-[(1E)-1-hydroxyiminoindan…

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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) 1.40 1.92 -14.61 3 5 0 85 248.282 4 ↓

Analogs

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Popular Name: 4-(tetrahydropyran-4-ylmethoxy)indan-1-one 4-(tetrahydropyran-4-ylmethoxy)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) 2.56 4.55 -7.02 1 4 0 51 261.321 3 ↓

Analogs

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Popular Name: 3-[(1E)-1-hydroxyiminoindan-4-yl]oxy-N,N-dimethyl-propanamide 3-[(1E)-1-hydroxyiminoindan-4-yl…

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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) 0.98 3.89 -11.06 1 5 0 62 262.309 4 ↓

Analogs

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Popular Name: 4-(2-ethoxyethoxy)indan-1-one 4-(2-ethoxyethoxy)indan-1-one

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.06 3.82 -8.06 1 4 0 51 235.283 5 ↓

Analogs

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Popular Name: 4-[(3R)-1,1-dioxothiolan-3-yl]oxyindan-1-one 4-[(3R)-1,1-dioxothiolan-3-yl]ox…

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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) 1.32 1.48 -15.66 1 5 0 76 281.333 2 ↓

Analogs

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Popular Name: 4-[(3S)-1,1-dioxothiolan-3-yl]oxyindan-1-one 4-[(3S)-1,1-dioxothiolan-3-yl]ox…

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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) 1.32 1.48 -16.35 1 5 0 76 281.333 2 ↓

Analogs

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Popular Name: 4-(2-hydroxyethoxy)indan-1-one 4-(2-hydroxyethoxy)indan-1-one

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.17 0.47 -9 2 4 0 62 207.229 3 ↓

Analogs

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Popular Name: 4-[2-(2-hydroxyethoxy)ethoxy]indan-1-one 4-[2-(2-hydroxyethoxy)ethoxy]ind…

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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) 0.96 0.8 -10.46 2 5 0 71 251.282 6 ↓

Analogs

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Popular Name: 2-[(1E)-1-hydroxyiminoindan-4-yl]oxyacetamide 2-[(1E)-1-hydroxyiminoindan-4-yl…

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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) 0.53 0.75 -15.21 3 5 0 85 220.228 3 ↓

Analogs

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Popular Name: 4-(cyclopentylmethoxy)indan-1-one 4-(cyclopentylmethoxy)indan-1-one

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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) 3.58 6.31 -5.68 1 3 0 42 245.322 3 ↓

Analogs

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Popular Name: (2S)-2-[(1E)-1-hydroxyiminoindan-4-yl]oxypropanenitrile (2S)-2-[(1E)-1-hydroxyiminoindan…

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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 3.9 -10.63 1 4 0 66 216.24 2 ↓

Analogs

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Popular Name: (2R)-2-[(1E)-1-hydroxyiminoindan-4-yl]oxypropanenitrile (2R)-2-[(1E)-1-hydroxyiminoindan…

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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 3.9 -10.63 1 4 0 66 216.24 2 ↓

Analogs

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Popular Name: 2-[(1E)-1-hydroxyiminoindan-4-yl]oxy-N-(2-methoxyethyl)acetamide 2-[(1E)-1-hydroxyiminoindan-4-yl…

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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) 0.89 2.11 -14.81 2 6 0 80 278.308 6 ↓

Analogs

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Popular Name: N-(1,1-dimethylpropyl)-2-[(1E)-1-hydroxyiminoindan-4-yl]oxy-acetamide N-(1,1-dimethylpropyl)-2-[(1E)-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) 2.59 4.7 -13.58 2 5 0 71 290.363 5 ↓

Analogs

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Popular Name: N-(1-ethylpropyl)-2-[(1E)-1-hydroxyiminoindan-4-yl]oxy-acetamide N-(1-ethylpropyl)-2-[(1E)-1-hydr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.65 5.32 -13.67 2 5 0 71 290.363 6 ↓

Analogs

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Popular Name: 4-(2-pyrazol-1-ylethoxy)indan-1-one 4-(2-pyrazol-1-ylethoxy)indan-1-one

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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) 1.87 4.61 -9.31 1 5 0 60 257.293 4 ↓

Analogs

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Popular Name: N-butyl-2-[(1E)-1-hydroxyiminoindan-4-yl]oxy-acetamide N-butyl-2-[(1E)-1-hydroxyiminoin…

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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 4.57 -14.42 2 5 0 71 276.336 6 ↓

Analogs

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Popular Name: 2-[(1E)-1-hydroxyiminoindan-4-yl]oxy-N-isopentyl-acetamide 2-[(1E)-1-hydroxyiminoindan-4-yl…

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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 5.08 -14.39 2 5 0 71 290.363 6 ↓

Analogs

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Popular Name: N-cyclopropyl-2-[(1E)-1-hydroxyiminoindan-4-yl]oxy-N-methyl-acetamide N-cyclopropyl-2-[(1E)-1-hydroxyi…

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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) 1.51 5.66 -15.35 1 5 0 62 274.32 4 ↓

Analogs

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Popular Name: 4-[2-(2,2,2-trifluoroethoxy)ethoxy]indan-1-one 4-[2-(2,2,2-trifluoroethoxy)etho…

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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 4.28 -10.8 1 4 0 51 289.253 6 ↓

Analogs

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Popular Name: 4-(2-isopentyloxyethoxy)indan-1-one 4-(2-isopentyloxyethoxy)indan-1-one

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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) 3.34 5.91 -7.78 1 4 0 51 277.364 7 ↓

Analogs

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Popular Name: (2S)-2-[(1E)-1-hydroxyiminoindan-4-yl]oxybutanenitrile (2S)-2-[(1E)-1-hydroxyiminoindan…

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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 4.69 -9.2 1 4 0 66 230.267 3 ↓

Analogs

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Popular Name: (2R)-2-[(1E)-1-hydroxyiminoindan-4-yl]oxybutanenitrile (2R)-2-[(1E)-1-hydroxyiminoindan…

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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 4.69 -9.19 1 4 0 66 230.267 3 ↓

Analogs

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Popular Name: 4-[(4-bromo-2-thienyl)methoxy]indan-1-one 4-[(4-bromo-2-thienyl)methoxy]in…

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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 6.33 -7.46 1 3 0 42 338.226 3 ↓

Analogs

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Popular Name: 4-[[(3R)-tetrahydrofuran-3-yl]methoxy]indan-1-one 4-[[(3R)-tetrahydrofuran-3-yl]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) 2.29 3.74 -7.62 1 4 0 51 247.294 3 ↓

Analogs

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Popular Name: 4-[[(3S)-tetrahydrofuran-3-yl]methoxy]indan-1-one 4-[[(3S)-tetrahydrofuran-3-yl]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) 2.29 3.76 -7.93 1 4 0 51 247.294 3 ↓

Parameters Provided:

ring.id = 77026
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 = 77026 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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