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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Isobromindione (INN) Isobromindione (INN)

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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) 4.33 7.72 -41.78 0 2 -1 40 300.131 1 ↓
Mid Mid (pH 6-8) 3.65 7.71 -8.63 0 2 0 34 301.139 1 ↓
Mid Mid (pH 6-8) 4.33 6.75 -19.17 1 2 0 37 301.139 1 ↓

Analogs

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Popular Name: (2E)-2-[(E)-3-(2-furyl)-1-hydroxy-prop-2-enylidene]-4-methyl-cyclopent-4-ene-1,3-dione (2E)-2-[(E)-3-(2-furyl)-1-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) 1.97 5.79 -49.08 0 4 -1 70 229.211 3 ↓
Lo Low (pH 4.5-6) 0.55 5.97 -10.79 0 4 0 64 230.219 3 ↓

Analogs

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Popular Name: N-[4-(isopropylsulfamoyl)phenyl]-9-oxo-fluorene-2-carboxamide N-[4-(isopropylsulfamoyl)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) 3.83 7.27 -25.13 2 6 0 92 420.49 5 ↓

Analogs

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Popular Name: 9-oxo-N-(8-quinolyl)fluorene-2-carboxamide 9-oxo-N-(8-quinolyl)fluorene-2-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) 4.05 -0.2 -18.42 1 4 0 59 350.377 2 ↓

Analogs

1545255
1545255

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Popular Name: N-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-9-oxo-fluorene-2-carboxamide N-[4-[4-(2-chlorophenyl)piperazi…

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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) 5.18 14.69 -55.11 2 5 1 54 475.012 7 ↓
Mid Mid (pH 6-8) 5.18 12.48 -19.41 1 5 0 53 474.004 7 ↓

Analogs

13864104
13864104

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Popular Name: N-[4-[4-(1-naphthyl)piperazin-1-yl]butyl]-9-oxo-fluorene-4-carboxamide N-[4-[4-(1-naphthyl)piperazin-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) 5.69 16.22 -56.13 2 5 1 54 490.627 7 ↓
Mid Mid (pH 6-8) 5.69 14.01 -15.09 1 5 0 53 489.619 7 ↓

Analogs

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Popular Name: (2,6-difluorophenyl)-N-(3-(tert-butyl)-1-methyl-4-oxoindeno[2,3-d]pyrazol-6-yl)formamide (2,6-difluorophenyl)-N-(3-(tert-…

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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) 4.82 9.82 -22.7 1 5 0 64 395.409 3 ↓

Analogs

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Popular Name: N-(3-(tert-butyl)-1-methyl-4-oxoindeno[2,3-d]pyrazol-6-yl)((3-(trifluoromethyl)phenyl)amino)formamide N-(3-(tert-butyl)-1-methyl-4-oxo…

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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) 5.77 10.06 -20.78 2 6 0 76 442.441 4 ↓

Analogs

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Popular Name: 3-(tert-butyl)-1-methyl-6-((((4-nitrophenyl)amino)thioxomethyl)amino)indeno[2,3-d]pyrazol-4-one 3-(tert-butyl)-1-methyl-6-((((4-…

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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) 4.13 11.82 -28.62 2 8 0 105 435.509 6 ↓

Analogs

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Popular Name: 2-{[(hydroxymethyl)amino]methylene}-1H-indene-1,3(2H)-dione 2-{[(hydroxymethyl)amino]methyle…

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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) 0.94 -0.79 -44.77 1 4 -1 73 202.189 2 ↓
Mid Mid (pH 6-8) 0.42 0.31 -11.22 2 4 0 66 203.197 2 ↓

Analogs

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Popular Name: 2-(C-methyl-N-(3-morpholinopropyl)carbonimidoyl)indane-1,3-dione 2-(C-methyl-N-(3-morpholinopropy…

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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) 2.18 4.29 -42.38 0 5 -1 65 313.377 5 ↓
Mid Mid (pH 6-8) 2.18 6.62 -48.62 1 5 0 66 314.385 5 ↓

Analogs

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Popular Name: 2,3,5-trichloroinden-1-one 2,3,5-trichloroinden-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) 3.98 6.89 -3.7 0 1 0 17 233.481 0 ↓

Analogs

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Popular Name: 3-(dioxoBLAHyl)-N-(9-oxofluoren-2-yl)propanamide 3-(dioxoBLAHyl)-N-(9-oxofluoren-…

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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) 3.18 10.28 -25.7 1 6 0 84 412.445 4 ↓

Analogs

5369792
5369792

Draw Identity 99% 90% 80% 70%

Popular Name: (11S)-11-(2,4-dimethylphenyl)-11H-indeno[2,3-c][1,5]benzothiazepin-12-ol (11S)-11-(2,4-dimethylphenyl)-11…

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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) 6.58 12.12 -27.64 1 2 0 29 369.489 1 ↓

Analogs

5369792
5369792

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Popular Name: (11R)-11-(2,4-dimethylphenyl)-11H-indeno[2,3-c][1,5]benzothiazepin-12-ol (11R)-11-(2,4-dimethylphenyl)-11…

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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) 6.58 12.24 -23.68 1 2 0 29 369.489 1 ↓

Analogs

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Popular Name: (11S)-11-(2,4,5-trimethylphenyl)-11H-indeno[2,3-c][1,5]benzothiazepin-12-ol (11S)-11-(2,4,5-trimethylphenyl)…

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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) 6.96 12.76 -28.35 1 2 0 29 383.516 1 ↓

Analogs

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Popular Name: (11R)-11-(2,4,5-trimethylphenyl)-11H-indeno[2,3-c][1,5]benzothiazepin-12-ol (11R)-11-(2,4,5-trimethylphenyl)…

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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) 6.96 13.43 -21.97 1 2 0 29 383.516 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-5-[4-(9-oxofluorene-2-carbonyl)piperazin-1-yl]sulfonyl-3H-thiazol-2-one 4-methyl-5-[4-(9-oxofluorene-2-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) 1.85 6 -25.92 1 8 0 108 469.544 3 ↓

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) 5.87 14.7 -14.88 0 6 0 75 479.532 8 ↓

Analogs

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Popular Name: (10R)-5-(2-furylmethyl)-7,7-dimethyl-10-(1-naphthyl)-8,10-dihydro-6H-indeno[3,2-b]quinoline-9,11-dio (10R)-5-(2-furylmethyl)-7,7-dime…

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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) 6.61 17.23 -27.64 0 4 0 51 485.583 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (10S)-5-(2-furylmethyl)-7,7-dimethyl-10-(1-naphthyl)-8,10-dihydro-6H-indeno[3,2-b]quinoline-9,11-dio (10S)-5-(2-furylmethyl)-7,7-dime…

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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) 6.61 17.12 -26.28 0 4 0 51 485.583 3 ↓

Analogs

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Popular Name: N-[3-[(2-fluorophenyl)sulfamoyl]-4-methyl-phenyl]-9-oxo-fluorene-2-carboxamide N-[3-[(2-fluorophenyl)sulfamoyl]…

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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) 5.35 10.57 -32.07 2 6 0 92 486.524 5 ↓
Mid Mid (pH 6-8) 5.35 10.64 -72.81 1 6 -1 94 485.516 5 ↓

Analogs

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Popular Name: N-[(2S)-2-dimethylamino-3-methyl-butyl]-9-oxo-fluorene-2-carboxamide N-[(2S)-2-dimethylamino-3-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) 3.53 9.95 -61.08 2 4 1 51 337.443 5 ↓
Hi High (pH 8-9.5) 3.53 7.59 -17.66 1 4 0 49 336.435 5 ↓

Analogs

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Popular Name: N-[(2R)-2-dimethylamino-3-methyl-butyl]-9-oxo-fluorene-2-carboxamide N-[(2R)-2-dimethylamino-3-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) 3.53 9.96 -60.93 2 4 1 51 337.443 5 ↓
Hi High (pH 8-9.5) 3.53 7.59 -17.69 1 4 0 49 336.435 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-{[(3-oxo-2-phenyl-2,3-dihydro-1H-inden-1-yliden)amino]methyl}benzenecarboxylic acid 4-{[(3-oxo-2-phenyl-2,3-dihydro-…

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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) 4.93 11.43 -60.39 1 4 -1 69 354.385 5 ↓

Analogs

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Popular Name: N-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxo-ethyl]-9-oxo-fluorene-2-carboxamide N-[2-[(2-methoxy-5-methyl-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) 4.00 8.24 -19.2 2 6 0 85 400.434 5 ↓

Analogs

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Popular Name: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl [5-(3-thienyl)-1,2,4-oxadiazol-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) 4.33 9.76 -14.84 0 6 0 82 388.404 5 ↓

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) 4.53 11.34 -20.16 2 9 0 124 486.48 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) 4.53 11.43 -20.64 2 9 0 124 486.48 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) 4.07 11.69 -25.06 1 5 0 72 385.419 3 ↓
Mid Mid (pH 6-8) 4.02 11.43 -26.5 0 5 0 73 385.419 3 ↓

Analogs

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Popular Name: 2-{1-[(4-chlorobenzyl)amino]ethylidene}-1H-indene-1,3(2H)-dione 2-{1-[(4-chlorobenzyl)amino]ethy…

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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) 4.11 8.52 -39.69 0 3 -1 52 310.76 3 ↓
Mid Mid (pH 6-8) 3.56 5.86 -12.36 0 3 0 47 311.768 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]thiazol-2-yl]-9-oxo-fluorene-2-carboxamide N-[4-[(4-allyl-5-thioxo-1H-1,2,4…

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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 13.02 -27.23 2 7 0 93 459.556 6 ↓
Hi High (pH 8-9.5) 4.40 11.96 -104.04 0 7 -2 96 457.54 6 ↓
Mid Mid (pH 6-8) 4.33 12.86 -58.66 1 7 -1 90 458.548 6 ↓

Analogs

25512729
25512729
25512732
25512732

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Popular Name: 2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]fluoren-9-one 2-[(3R,5R)-3,5-dimethylpiperidin…

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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) 3.79 11.05 -16.12 0 3 0 37 319.404 1 ↓

Analogs

25512729
25512729
25512732
25512732

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]fluoren-9-one 2-[(3R,5S)-3,5-dimethylpiperidin…

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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) 3.79 10.79 -10.76 0 3 0 37 319.404 1 ↓

Analogs

25512729
25512729
25512732
25512732

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]fluoren-9-one 2-[(3S,5S)-3,5-dimethylpiperidin…

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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) 3.79 11.03 -10.68 0 3 0 37 319.404 1 ↓

Analogs

39635217
39635217
39635218
39635218
39635763
39635763
39635765
39635765
39637165
39637165

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Popular Name: 4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]fluoren-9-one 4-[(2S,6R)-2,6-dimethylpiperidin…

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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 10.27 -10.23 0 3 0 37 319.404 1 ↓

Analogs

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Popular Name: N'-(5-bromo-2-cyano-pyrimidin-4-yl)-N'-isobutyl-9-oxo-fluorene-4-carbohydrazide N'-(5-bromo-2-cyano-pyrimidin-4-…

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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) 4.21 12.12 -13.2 1 7 0 99 476.334 5 ↓

Analogs

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Popular Name: N'-(5-bromo-2-cyano-pyrimidin-4-yl)-N'-isobutyl-9-oxo-fluorene-1-carbohydrazide N'-(5-bromo-2-cyano-pyrimidin-4-…

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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) 4.21 13.62 -19.41 1 7 0 99 476.334 5 ↓

Analogs

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Popular Name: N-(diaminomethylene)-8-(hydroxymethyl)-9-oxo-fluorene-2-carboxamide N-(diaminomethylene)-8-(hydroxym…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.63 2.72 -17.65 5 6 0 119 295.298 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) 4.01 9.63 -14.73 0 3 0 43 286.714 3 ↓

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) 4.01 9.63 -8.81 0 3 0 43 286.714 3 ↓

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) 4.03 9.67 -13.81 0 3 0 43 331.165 3 ↓

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) 3.13 10.22 -39 1 4 1 48 296.346 4 ↓
Mid Mid (pH 6-8) 3.13 7.8 -13.76 0 4 0 47 295.338 4 ↓

Analogs

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Popular Name: 5-fluoro-9-oxo-fluorene-2-carboxylic 5-fluoro-9-oxo-fluorene-2-carbox…

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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) 3.23 8.27 -52 0 3 -1 57 241.197 1 ↓

Analogs

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Popular Name: N-(diaminomethylene)-9-oxo-fluorene-2-carboxamide N-(diaminomethylene)-9-oxo-fluor…

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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) 1.34 5.23 -17.84 4 5 0 99 265.272 1 ↓

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) 3.28 8.2 -12.86 0 4 0 53 282.295 4 ↓

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) 4.17 9.91 -12.33 0 3 0 43 266.296 3 ↓

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) 4.15 9.89 -12.83 0 3 0 43 266.296 3 ↓

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) 2.66 5.8 -13.27 1 4 0 64 268.268 3 ↓

Analogs

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Popular Name: N-(diaminomethylene)-5-fluoro-9-oxo-fluorene-2-carboxamide N-(diaminomethylene)-5-fluoro-9-…

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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) 1.46 5.28 -15.26 4 5 0 99 283.262 1 ↓

Parameters Provided:

ring.id = 289
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 = 289 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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