UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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: 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

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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: 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

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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: 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

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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

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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 ↓

Analogs

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Popular Name: 5-methyl-9-oxo-fluorene-2-carboxylic 5-methyl-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) 3.51 8.67 -53.98 0 3 -1 57 237.234 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) 3.77 8.96 -13.18 0 3 0 43 252.269 2 ↓

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) 3.36 9.97 -19.62 0 5 0 70 310.305 5 ↓

Analogs

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Popular Name: N-(diaminomethylene)-6-methyl-9-oxo-fluorene-2-carboxamide N-(diaminomethylene)-6-methyl-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) 1.76 5.91 -17.18 4 5 0 99 279.299 1 ↓

Analogs

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Popular Name: 5-chloro-2-[(9-oxofluorene-4-carbonyl)amino]benzoic 5-chloro-2-[(9-oxofluorene-4-car…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACPS-1-B Holo-[acyl-carrieir-protein] Synthase (cluster #1 Of 1), Bacterial Bacteria 820 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACPS_BACSU P96618 Holo-[acyl-carrieir-protein] Synthase, Bacsu 820 0.32 Binding ≤ 1μM
ACPS_BACSU P96618 Holo-[acyl-carrieir-protein] Synthase, Bacsu 820 0.32 Binding ≤ 10μM

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) 4.76 9.87 -50.16 1 5 -1 86 376.775 3 ↓

Analogs

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Popular Name: N-[4-[methyl-(1-methyl-4-piperidyl)sulfamoyl]phenyl]-9-oxo-fluorene-2-carboxamide N-[4-[methyl-(1-methyl-4-piperid…

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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) 3.82 10.75 -63.97 2 7 1 88 490.605 5 ↓
Hi High (pH 8-9.5) 3.82 8.4 -24.53 1 7 0 87 489.597 5 ↓

Analogs

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Popular Name: 8-(7-chloro-9-oxo-fluorene-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one 8-(7-chloro-9-oxo-fluorene-1-car…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.51 8.71 -23.4 1 5 0 66 394.858 1 ↓

Analogs

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Popular Name: N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-9-oxo-fluorene-2-carboxamide N-[4-(4-methylpiperazin-1-yl)sul…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.29 7.18 -24.82 1 7 0 87 461.543 4 ↓
Mid Mid (pH 6-8) 3.29 9.53 -61.46 2 7 1 88 462.551 4 ↓

Analogs

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Popular Name: N-[4-(diethylsulfamoyl)phenyl]-9-oxo-fluorene-2-carboxamide N-[4-(diethylsulfamoyl)phenyl]-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) 4.16 9.39 -24.68 1 6 0 84 434.517 6 ↓

Analogs

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Popular Name: N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-9-oxo-fluorene-2-carboxamide N-[4-(4-ethylpiperazin-1-yl)sulf…

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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) 3.67 7.98 -24.55 1 7 0 87 475.57 5 ↓
Mid Mid (pH 6-8) 3.67 10.2 -59.95 2 7 1 88 476.578 5 ↓

Analogs

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Popular Name: 9-oxo-N-[4-(thiazol-2-ylsulfamoyl)phenyl]fluorene-2-carboxamide 9-oxo-N-[4-(thiazol-2-ylsulfamoy…

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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) 3.91 7.87 -62.47 1 7 -1 107 460.516 5 ↓
Mid Mid (pH 6-8) 4.84 8.43 -29.14 2 7 0 108 461.524 4 ↓

Analogs

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Popular Name: N-[4-[[(1S)-2-methoxy-1-methyl-ethyl]sulfamoyl]phenyl]-9-oxo-fluorene-2-carboxamide N-[4-[[(1S)-2-methoxy-1-methyl-e…

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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) 3.47 6.54 -26.47 2 7 0 102 450.516 7 ↓

Analogs

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Popular Name: N-[4-[[(1R)-2-methoxy-1-methyl-ethyl]sulfamoyl]phenyl]-9-oxo-fluorene-2-carboxamide N-[4-[[(1R)-2-methoxy-1-methyl-e…

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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) 3.47 6.47 -25.89 2 7 0 102 450.516 7 ↓

Analogs

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Popular Name: N-[4-(cyclopropylsulfamoyl)phenyl]-9-oxo-fluorene-2-carboxamide N-[4-(cyclopropylsulfamoyl)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) 3.52 7.56 -23.19 2 6 0 92 418.474 5 ↓

Analogs

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Popular Name: 4-(9-oxofluorene-2-carbonyl)-1,4-diazepane-1-carboxamide 4-(9-oxofluorene-2-carbonyl)-1,4…

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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) 1.60 7.21 -17.24 2 6 0 84 349.39 1 ↓

Analogs

48110782
48110782

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Popular Name: N-(5-methylisoxazol-3-yl)-2-[4-(9-oxofluorene-2-carbonyl)piperazin-1-yl]acetamide N-(5-methylisoxazol-3-yl)-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) 2.06 8.17 -22.25 1 8 0 96 430.464 4 ↓

Analogs

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Popular Name: (2S)-2-[[(2S)-3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]butanoyl]amino]propanoic (2S)-2-[[(2S)-3-methyl-2-[(9-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) 0.70 8.2 -45.67 2 7 -1 115 393.419 6 ↓

Analogs

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Popular Name: (2S)-3-methyl-2-[[(2S)-2-[(9-oxofluorene-4-carbonyl)amino]propanoyl]amino]butanoic (2S)-3-methyl-2-[[(2S)-2-[(9-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) 0.70 8.12 -53.55 2 7 -1 115 393.419 6 ↓

Parameters Provided:

ring.id = 8676
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 8676 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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