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Analogs

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Popular Name: 7-hydroxy-3-(2-methoxyphenyl)-8-[(4-phenylpiperazin-1-yl)methyl]chromen-4-one 7-hydroxy-3-(2-methoxyphenyl)-8-…

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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) 4.84 8.48 -13.88 1 6 0 66 442.515 5 ↓
Mid Mid (pH 6-8) 4.84 10.7 -51.09 2 6 1 67 443.523 5 ↓

Analogs

41585798
41585798

Draw Identity 99% 90% 80% 70%

Popular Name: 7-hydroxy-3-(2-methoxyphenyl)-2-methyl-8-[(4-phenylpiperazin-1-yl)methyl]chromen-4-one 7-hydroxy-3-(2-methoxyphenyl)-2-…

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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) 5.06 9.43 -13.94 1 6 0 66 456.542 5 ↓
Mid Mid (pH 6-8) 5.06 11.68 -53.23 2 6 1 67 457.55 5 ↓

Analogs

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Popular Name: 7-hydroxy-3-(2-methoxyphenyl)-8-[(4-phenylpiperazin-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one 7-hydroxy-3-(2-methoxyphenyl)-8-…

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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) 5.97 9.63 -11.46 1 6 0 66 510.512 6 ↓
Hi High (pH 8-9.5) 5.97 10.22 -42.44 0 6 -1 69 509.504 6 ↓
Mid Mid (pH 6-8) 5.97 11.87 -49.12 2 6 1 67 511.52 6 ↓

Analogs

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Popular Name: 7-hydroxy-3-phenyl-8-[(4-phenylpiperazin-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one 7-hydroxy-3-phenyl-8-[(4-phenylp…

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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) 5.96 10.3 -9.11 1 5 0 57 480.486 5 ↓
Hi High (pH 8-9.5) 5.96 10.89 -38.55 0 5 -1 60 479.478 5 ↓
Mid Mid (pH 6-8) 5.96 12.54 -47.93 2 5 1 58 481.494 5 ↓

Analogs

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Popular Name: 3-(4-chlorophenyl)-7-hydroxy-8-[(4-phenylpiperazin-1-yl)methyl]chromen-4-one 3-(4-chlorophenyl)-7-hydroxy-8-[…

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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) 5.50 9.67 -10.76 1 5 0 57 446.934 4 ↓
Hi High (pH 8-9.5) 5.50 10.42 -42.12 0 5 -1 60 445.926 4 ↓
Mid Mid (pH 6-8) 5.50 11.91 -55.34 2 5 1 58 447.942 4 ↓

Analogs

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Popular Name: 3-(4-chlorophenyl)-7-hydroxy-2-methyl-8-[(4-phenylpiperazin-1-yl)methyl]chromen-4-one 3-(4-chlorophenyl)-7-hydroxy-2-m…

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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) 5.73 10.55 -11.02 1 5 0 57 460.961 4 ↓
Mid Mid (pH 6-8) 5.73 12.81 -52.83 2 5 1 58 461.969 4 ↓

Analogs

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Popular Name: 3-(4-chlorophenyl)-7-hydroxy-8-[(4-phenylpiperazin-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one 3-(4-chlorophenyl)-7-hydroxy-8-[…

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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) 6.64 10.49 -8.44 1 5 0 57 514.931 5 ↓
Hi High (pH 8-9.5) 6.64 11.26 -36.25 0 5 -1 60 513.923 5 ↓
Mid Mid (pH 6-8) 6.64 12.72 -50.2 2 5 1 58 515.939 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-hydroxy-3-(4-methoxyphenyl)-8-[(4-phenylpiperazin-1-yl)methyl]chromen-4-one 7-hydroxy-3-(4-methoxyphenyl)-8-…

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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) 4.88 8.44 -13.8 1 6 0 66 442.515 5 ↓
Mid Mid (pH 6-8) 4.88 10.66 -53.75 2 6 1 67 443.523 5 ↓

Analogs

41585805
41585805

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Popular Name: 7-hydroxy-3-(4-methoxyphenyl)-2-methyl-8-[(4-phenylpiperazin-1-yl)methyl]chromen-4-one 7-hydroxy-3-(4-methoxyphenyl)-2-…

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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) 5.10 9.34 -12.3 1 6 0 66 456.542 5 ↓
Mid Mid (pH 6-8) 5.10 11.58 -53.18 2 6 1 67 457.55 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-hydroxy-3-(4-methoxyphenyl)-8-[(4-phenylpiperazin-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one 7-hydroxy-3-(4-methoxyphenyl)-8-…

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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) 6.02 9.59 -9.88 1 6 0 66 510.512 6 ↓
Hi High (pH 8-9.5) 6.02 10.18 -38.66 0 6 -1 69 509.504 6 ↓
Mid Mid (pH 6-8) 6.02 11.83 -49.46 2 6 1 67 511.52 6 ↓

Analogs

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Popular Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(4-phenylpiperazin-1-yl)methyl]chromen-4-one 3-(3,4-dimethoxyphenyl)-7-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) 4.47 8.36 -15.58 1 7 0 75 472.541 6 ↓
Mid Mid (pH 6-8) 4.47 10.58 -56.47 2 7 1 77 473.549 6 ↓

Analogs

41585807
41585807

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-2-methyl-8-[(4-phenylpiperazin-1-yl)methyl]chromen-4-one 3-(3,4-dimethoxyphenyl)-7-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) 4.69 9.24 -15.19 1 7 0 75 486.568 6 ↓
Mid Mid (pH 6-8) 4.69 11.49 -57.01 2 7 1 77 487.576 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-bromophenyl)-7-hydroxy-8-[(4-phenylpiperazin-1-yl)methyl]chromen-4-one 3-(4-bromophenyl)-7-hydroxy-8-[(…

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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) 5.63 9.77 -10.83 1 5 0 57 491.385 4 ↓
Hi High (pH 8-9.5) 5.63 10.54 -42.02 0 5 -1 60 490.377 4 ↓
Mid Mid (pH 6-8) 5.63 12.02 -55.32 2 5 1 58 492.393 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-bromophenyl)-7-hydroxy-2-methyl-8-[(4-phenylpiperazin-1-yl)methyl]chromen-4-one 3-(4-bromophenyl)-7-hydroxy-2-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) 5.86 10.66 -11 1 5 0 57 505.412 4 ↓
Mid Mid (pH 6-8) 5.86 12.91 -52.86 2 5 1 58 506.42 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-7-hydroxy-3-(2-methoxyphenyl)chromen-4-one 8-[[4-(3-chlorophenyl)piperazin-…

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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) 5.49 8.99 -14.25 1 6 0 66 476.96 5 ↓
Mid Mid (pH 6-8) 5.49 11.21 -52.8 2 6 1 67 477.968 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-7-hydroxy-3-(2-methoxyphenyl)-2-methyl-chromen-4-one 8-[[4-(3-chlorophenyl)piperazin-…

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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) 5.71 9.65 -13.95 1 6 0 66 490.987 5 ↓
Mid Mid (pH 6-8) 5.71 11.87 -56.54 2 6 1 67 491.995 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-7-hydroxy-3-phenyl-chromen-4-one 8-[[4-(3-chlorophenyl)piperazin-…

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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) 5.48 9.66 -13.06 1 5 0 57 446.934 4 ↓
Mid Mid (pH 6-8) 5.48 11.89 -53.5 2 5 1 58 447.942 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-7-hydroxy-3-phenyl-2-(trifluoromethyl)chromen-4-one 8-[[4-(3-chlorophenyl)piperazin-…

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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 10.51 -9.88 1 5 0 57 514.931 5 ↓
Hi High (pH 8-9.5) 6.61 11.28 -38.15 0 5 -1 60 513.923 5 ↓
Mid Mid (pH 6-8) 6.61 12.73 -51.99 2 5 1 58 515.939 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-chlorophenyl)-8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-7-hydroxy-chromen-4-one 3-(4-chlorophenyl)-8-[[4-(3-chlo…

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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) 6.16 10.18 -11.03 1 5 0 57 481.379 4 ↓
Hi High (pH 8-9.5) 6.16 10.94 -41.69 0 5 -1 60 480.371 4 ↓
Mid Mid (pH 6-8) 6.16 12.42 -57.54 2 5 1 58 482.387 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-chlorophenyl)-8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-7-hydroxy-2-methyl-chromen-4-one 3-(4-chlorophenyl)-8-[[4-(3-chlo…

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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) 6.38 10.78 -10.96 1 5 0 57 495.406 4 ↓
Mid Mid (pH 6-8) 6.38 13 -56.07 2 5 1 58 496.414 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-7-hydroxy-3-(4-methoxyphenyl)chromen-4-one 8-[[4-(3-chlorophenyl)piperazin-…

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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) 5.54 8.95 -14.3 1 6 0 66 476.96 5 ↓
Mid Mid (pH 6-8) 5.54 11.17 -55.4 2 6 1 67 477.968 5 ↓

Analogs

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Popular Name: 8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-7-hydroxy-3-(4-methoxyphenyl)-2-methyl-chromen-4-one 8-[[4-(3-chlorophenyl)piperazin-…

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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) 5.76 9.56 -12.25 1 6 0 66 490.987 5 ↓
Mid Mid (pH 6-8) 5.76 11.77 -56.49 2 6 1 67 491.995 5 ↓

Analogs

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Popular Name: 8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(3,4-dimethoxyphenyl)-7-hydroxy-chromen-4-one 8-[[4-(3-chlorophenyl)piperazin-…

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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) 5.13 8.87 -15.97 1 7 0 75 506.986 6 ↓
Mid Mid (pH 6-8) 5.13 11.09 -58.37 2 7 1 77 507.994 6 ↓

Analogs

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Popular Name: 8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(3,4-dimethoxyphenyl)-7-hydroxy-2-methyl-chromen-4-on 8-[[4-(3-chlorophenyl)piperazin-…

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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 9.76 -15.45 1 7 0 75 521.013 6 ↓
Mid Mid (pH 6-8) 5.35 12 -59.21 2 7 1 77 522.021 6 ↓

Analogs

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Popular Name: 8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-7-hydroxy-3-(2-methoxyphenyl)chromen-4-one 8-[[4-(2-fluorophenyl)piperazin-…

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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) 4.95 8.99 -14.4 1 6 0 66 460.505 5 ↓
Mid Mid (pH 6-8) 4.95 11.21 -46.33 2 6 1 67 461.513 5 ↓

Analogs

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Popular Name: 8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-7-hydroxy-3-(2-methoxyphenyl)-2-methyl-chromen-4-one 8-[[4-(2-fluorophenyl)piperazin-…

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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) 5.17 9.94 -13.9 1 6 0 66 474.532 5 ↓
Mid Mid (pH 6-8) 5.17 12.18 -47.96 2 6 1 67 475.54 5 ↓

Analogs

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Popular Name: 8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-7-hydroxy-3-phenyl-chromen-4-one 8-[[4-(2-fluorophenyl)piperazin-…

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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) 4.94 9.67 -12.87 1 5 0 57 430.479 4 ↓
Mid Mid (pH 6-8) 4.94 11.89 -46.72 2 5 1 58 431.487 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-7-hydroxy-3-phenyl-2-(trifluoromethyl)chromen-4-one 8-[[4-(2-fluorophenyl)piperazin-…

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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) 6.08 10.51 -9.42 1 5 0 57 498.476 5 ↓
Hi High (pH 8-9.5) 6.08 11.27 -41.77 0 5 -1 60 497.468 5 ↓
Mid Mid (pH 6-8) 6.08 12.73 -47.39 2 5 1 58 499.484 5 ↓

Analogs

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Popular Name: 3-(4-chlorophenyl)-8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-7-hydroxy-chromen-4-one 3-(4-chlorophenyl)-8-[[4-(2-fluo…

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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) 5.62 10.18 -10.98 1 5 0 57 464.924 4 ↓
Hi High (pH 8-9.5) 5.62 10.94 -43.89 0 5 -1 60 463.916 4 ↓
Mid Mid (pH 6-8) 5.62 12.41 -50.09 2 5 1 58 465.932 4 ↓

Analogs

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Popular Name: 3-(4-chlorophenyl)-8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-7-hydroxy-2-methyl-chromen-4-one 3-(4-chlorophenyl)-8-[[4-(2-fluo…

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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) 5.84 10.78 -11.47 1 5 0 57 478.951 4 ↓
Mid Mid (pH 6-8) 5.84 13 -52.64 2 5 1 58 479.959 4 ↓

Analogs

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Popular Name: 8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-7-hydroxy-3-(4-methoxyphenyl)chromen-4-one 8-[[4-(2-fluorophenyl)piperazin-…

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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) 5.00 8.95 -13.99 1 6 0 66 460.505 5 ↓
Mid Mid (pH 6-8) 5.00 11.17 -48.55 2 6 1 67 461.513 5 ↓

Analogs

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Popular Name: 8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-7-hydroxy-3-(4-methoxyphenyl)-2-methyl-chromen-4-one 8-[[4-(2-fluorophenyl)piperazin-…

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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) 5.22 9.84 -12.13 1 6 0 66 474.532 5 ↓
Mid Mid (pH 6-8) 5.22 12.08 -47.78 2 6 1 67 475.54 5 ↓

Analogs

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Popular Name: 3-(3,4-dimethoxyphenyl)-8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-7-hydroxy-2-methyl-chromen-4-on 3-(3,4-dimethoxyphenyl)-8-[[4-(2…

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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) 4.81 9.76 -15.04 1 7 0 75 504.558 6 ↓
Mid Mid (pH 6-8) 4.81 12.01 -51.51 2 7 1 77 505.566 6 ↓

Analogs

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Popular Name: 3-(4-bromophenyl)-8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-7-hydroxy-chromen-4-one 3-(4-bromophenyl)-8-[[4-(2-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) 5.75 10.28 -11.01 1 5 0 57 509.375 4 ↓
Hi High (pH 8-9.5) 5.75 11.05 -43.8 0 5 -1 60 508.367 4 ↓
Mid Mid (pH 6-8) 5.75 12.51 -50.08 2 5 1 58 510.383 4 ↓

Analogs

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Popular Name: 3-(4-bromophenyl)-8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-7-hydroxy-2-methyl-chromen-4-one 3-(4-bromophenyl)-8-[[4-(2-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) 5.97 10.89 -11.44 1 5 0 57 523.402 4 ↓
Mid Mid (pH 6-8) 5.97 13.11 -52.74 2 5 1 58 524.41 4 ↓

Analogs

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Popular Name: 8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-hydroxy-3-(2-methoxyphenyl)chromen-4-one 8-[[4-(4-fluorophenyl)piperazin-…

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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) 5.00 8.54 -14.58 1 6 0 66 460.505 5 ↓
Mid Mid (pH 6-8) 5.00 10.77 -55.36 2 6 1 67 461.513 5 ↓

Analogs

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Popular Name: 8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-hydroxy-3-(2-methoxyphenyl)-2-methyl-chromen-4-one 8-[[4-(4-fluorophenyl)piperazin-…

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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) 5.22 9.49 -14.99 1 6 0 66 474.532 5 ↓
Mid Mid (pH 6-8) 5.22 11.75 -57.91 2 6 1 67 475.54 5 ↓

Analogs

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Popular Name: 8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-hydroxy-2-methyl-3-phenyl-chromen-4-one 8-[[4-(4-fluorophenyl)piperazin-…

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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) 5.21 10.11 -12.89 1 5 0 57 444.506 4 ↓
Mid Mid (pH 6-8) 5.21 12.37 -56.68 2 5 1 58 445.514 4 ↓

Analogs

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Popular Name: 8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-hydroxy-3-phenyl-2-(trifluoromethyl)chromen-4-one 8-[[4-(4-fluorophenyl)piperazin-…

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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) 6.12 10.37 -10.24 1 5 0 57 498.476 5 ↓
Hi High (pH 8-9.5) 6.12 10.96 -37.42 0 5 -1 60 497.468 5 ↓
Mid Mid (pH 6-8) 6.12 12.62 -52.5 2 5 1 58 499.484 5 ↓

Analogs

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Popular Name: 3-(4-chlorophenyl)-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-hydroxy-chromen-4-one 3-(4-chlorophenyl)-8-[[4-(4-fluo…

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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) 5.67 9.72 -12.98 1 5 0 57 464.924 4 ↓
Hi High (pH 8-9.5) 5.67 10.48 -41.13 0 5 -1 60 463.916 4 ↓
Mid Mid (pH 6-8) 5.67 11.96 -57.29 2 5 1 58 465.932 4 ↓

Analogs

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Popular Name: 3-(4-chlorophenyl)-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-hydroxy-2-methyl-chromen-4-one 3-(4-chlorophenyl)-8-[[4-(4-fluo…

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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) 5.89 10.61 -12.16 1 5 0 57 478.951 4 ↓
Mid Mid (pH 6-8) 5.89 12.88 -57.45 2 5 1 58 479.959 4 ↓

Analogs

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Popular Name: 8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-hydroxy-3-(4-methoxyphenyl)chromen-4-one 8-[[4-(4-fluorophenyl)piperazin-…

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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) 5.05 8.51 -14.64 1 6 0 66 460.505 5 ↓
Mid Mid (pH 6-8) 5.05 10.73 -57.99 2 6 1 67 461.513 5 ↓

Analogs

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Popular Name: 8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-hydroxy-3-(4-methoxyphenyl)-2-methyl-chromen-4-one 8-[[4-(4-fluorophenyl)piperazin-…

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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) 5.27 9.4 -13.4 1 6 0 66 474.532 5 ↓
Mid Mid (pH 6-8) 5.27 11.65 -57.83 2 6 1 67 475.54 5 ↓

Analogs

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Popular Name: 3-(3,4-dimethoxyphenyl)-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-hydroxy-2-methyl-chromen-4-on 3-(3,4-dimethoxyphenyl)-8-[[4-(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) 4.86 9.3 -16.3 1 7 0 75 504.558 6 ↓
Mid Mid (pH 6-8) 4.86 11.56 -61.65 2 7 1 77 505.566 6 ↓

Analogs

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Popular Name: 3-(4-bromophenyl)-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-hydroxy-chromen-4-one 3-(4-bromophenyl)-8-[[4-(4-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) 5.80 9.84 -12.94 1 5 0 57 509.375 4 ↓
Hi High (pH 8-9.5) 5.80 10.61 -41.07 0 5 -1 60 508.367 4 ↓
Mid Mid (pH 6-8) 5.80 12.07 -57.22 2 5 1 58 510.383 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-bromophenyl)-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-hydroxy-2-methyl-chromen-4-one 3-(4-bromophenyl)-8-[[4-(4-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) 6.02 10.73 -12.14 1 5 0 57 523.402 4 ↓
Mid Mid (pH 6-8) 6.02 12.98 -57.53 2 5 1 58 524.41 4 ↓

Analogs

41585211
41585211

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Popular Name: 7-hydroxy-3-(2-methoxyphenyl)-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-chromen-4-one 7-hydroxy-3-(2-methoxyphenyl)-8-…

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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) 5.11 8.42 -14.77 1 7 0 75 486.568 6 ↓
Mid Mid (pH 6-8) 5.11 10.64 -56.38 2 7 1 77 487.576 6 ↓

Analogs

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Popular Name: 7-hydroxy-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-chromen-4-one 7-hydroxy-8-[[4-(4-methoxyphenyl…

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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) 4.88 8.44 -12.81 1 6 0 66 442.515 5 ↓
Mid Mid (pH 6-8) 4.88 10.68 -56.69 2 6 1 67 443.523 5 ↓

Analogs

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Popular Name: 7-hydroxy-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-3-phenyl-chromen-4-one 7-hydroxy-8-[[4-(4-methoxyphenyl…

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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) 5.10 9.04 -12.53 1 6 0 66 456.542 5 ↓
Mid Mid (pH 6-8) 5.10 11.28 -55 2 6 1 67 457.55 5 ↓

Analogs

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Popular Name: 7-hydroxy-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-2-(trifluoromethyl)chromen-4-one 7-hydroxy-8-[[4-(4-methoxyphenyl…

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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) 6.02 9.6 -10.72 1 6 0 66 510.512 6 ↓
Hi High (pH 8-9.5) 6.02 10.17 -38.95 0 6 -1 69 509.504 6 ↓
Mid Mid (pH 6-8) 6.02 11.82 -50.67 2 6 1 67 511.52 6 ↓

Parameters Provided:

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

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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 = 550106 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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