UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

5789629
5789629

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Popular Name: [2-[(3-methoxyphenyl)methylene]-3-oxo-benzofuran-6-yl] [2-[(3-methoxyphenyl)methylene]-…

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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) 4.29 4.38 -11.13 0 5 0 65 352.386 5 ↓

Analogs

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Popular Name: [2-[(1-ethylindol-3-yl)methylene]-3-oxo-benzofuran-6-yl] [2-[(1-ethylindol-3-yl)methylene…

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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) 4.59 13.26 -12.45 0 6 0 75 399.402 5 ↓

Analogs

8993139
8993139

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Popular Name: 6-[(2,6-dichlorophenyl)methoxy]-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-7-methyl-benzofuran-3-o 6-[(2,6-dichlorophenyl)methoxy]-…

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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) 6.75 14.19 -12.24 0 5 0 54 494.374 5 ↓

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) 3.71 3.98 -14.64 0 6 0 70 377.396 5 ↓

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) 3.71 3.97 -14.67 0 6 0 70 377.396 5 ↓

Analogs

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Popular Name: [2-[(1-ethylindol-3-yl)methylene]-3-oxo-benzofuran-6-yl] [2-[(1-ethylindol-3-yl)methylene…

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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 4.09 -12.08 0 5 0 61 409.441 5 ↓

Analogs

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Popular Name: [2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-7-methyl-3-oxo-benzofuran-6-yl] [2-[(1-ethyl-5-methoxy-indol-3-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) 5.00 4.83 -14.56 0 7 0 83 443.455 6 ↓

Analogs

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Popular Name: 2-[2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-3-oxo-benzofuran-6-yl]oxyacetonitrile 2-[2-[(1-ethyl-5-methoxy-indol-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) 3.68 3.58 -17.15 0 6 0 77 374.396 5 ↓

Analogs

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Popular Name: [4-[(Z)-(6,7-dimethyl-3-oxo-benzofuran-2-ylidene)methyl]-2-methoxy-phenyl] [4-[(Z)-(6,7-dimethyl-3-oxo-benz…

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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) 6.76 14.09 -12.08 0 6 0 75 499.346 6 ↓

Analogs

9158386
9158386
12861929
12861929

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Popular Name: [4-[(Z)-(6,7-dimethyl-3-oxo-benzofuran-2-ylidene)methyl]-2-methoxy-phenyl] [4-[(Z)-(6,7-dimethyl-3-oxo-benz…

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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) 6.78 16.48 -12.44 0 5 0 66 462.586 8 ↓

Analogs

8992617
8992617

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Popular Name: [2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-7-methyl-3-oxo-benzofuran-6-yl] [2-[(5-methoxy-1-methyl-indol-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) 5.75 4.24 -15.1 0 8 0 89 499.519 7 ↓

Analogs

16742201
16742201
16742202
16742202
9210186
9210186

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Popular Name: [4-[(Z)-(6,7-dimethyl-3-oxo-benzofuran-2-ylidene)methyl]-2-methoxy-phenyl] [4-[(Z)-(6,7-dimethyl-3-oxo-benz…

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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 13.43 -15.3 0 6 0 75 464.901 6 ↓

Analogs

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Popular Name: [4-[(Z)-(5,7-dimethyl-3-oxo-benzofuran-2-ylidene)methyl]-2-methoxy-phenyl] [4-[(Z)-(5,7-dimethyl-3-oxo-benz…

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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) 6.97 15.61 -15.57 0 5 0 66 490.964 5 ↓

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) 3.72 3.88 -14.99 0 6 0 70 377.396 5 ↓

Analogs

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Popular Name: 6-[(2-methoxyphenyl)methoxy]-7-methyl-2-[(1-methylindol-3-yl)methylene]benzofuran-3-one 6-[(2-methoxyphenyl)methoxy]-7-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) 5.47 3.08 -10.92 0 5 0 53 425.484 5 ↓

Analogs

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Popular Name: [4-[(Z)-(5,7-dimethyl-3-oxo-benzofuran-2-ylidene)methyl]-2-methoxy-phenyl] [4-[(Z)-(5,7-dimethyl-3-oxo-benz…

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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) 7.39 16.28 -14.8 0 5 0 66 504.991 5 ↓

Analogs

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Popular Name: [2-[(1-ethylindol-3-yl)methylene]-7-methyl-3-oxo-benzofuran-6-yl] [2-[(1-ethylindol-3-yl)methylene…

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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) 5.83 5.03 -15.29 0 5 0 61 441.458 5 ↓

Analogs

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Popular Name: 6-[(4-bromophenyl)methoxy]-2-[(1-ethylindol-3-yl)methylene]benzofuran-3-one 6-[(4-bromophenyl)methoxy]-2-[(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) 6.27 1.88 -10.65 0 4 0 44 474.354 5 ↓

Analogs

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Popular Name: 2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-7-methyl-6-(o-tolylmethoxy)benzofuran-3-one 2-[(1-ethyl-5-methoxy-indol-3-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) 6.27 14.93 -11.8 0 5 0 54 453.538 6 ↓

Analogs

6167227
6167227

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Popular Name: [4-[(Z)-(5,7-dimethyl-3-oxo-benzofuran-2-ylidene)methyl]-2-methoxy-phenyl] [4-[(Z)-(5,7-dimethyl-3-oxo-benz…

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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 13.55 -16.13 0 7 0 84 458.466 5 ↓

Analogs

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Popular Name: [2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-7-methyl-3-oxo-benzofuran-6-yl] [2-[(1-ethyl-5-methoxy-indol-3-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) 6.11 4.37 -15.6 0 7 0 79 483.52 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-3-oxo-benzofuran-6-yl] [2-[(1-ethyl-5-methoxy-indol-3-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) 6.38 3.95 -12.42 0 6 0 70 473.912 6 ↓

Analogs

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Popular Name: 6-[(2,5-dimethylphenyl)methoxy]-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-7-methyl-benzofuran-3-on 6-[(2,5-dimethylphenyl)methoxy]-…

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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) 6.69 3.74 -11.82 0 5 0 53 467.565 6 ↓

Analogs

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Popular Name: [7-methyl-2-[(1-methylindol-3-yl)methylene]-3-oxo-benzofuran-6-yl] [7-methyl-2-[(1-methylindol-3-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) 5.50 4.63 -12.36 0 5 0 61 435.479 5 ↓

Analogs

6167227
6167227

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Popular Name: [4-[(Z)-(5,7-dimethyl-3-oxo-benzofuran-2-ylidene)methyl]-2-methoxy-phenyl] [4-[(Z)-(5,7-dimethyl-3-oxo-benz…

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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 13.55 -15.68 0 7 0 84 458.466 5 ↓

Analogs

41504763
41504763
8992985
8992985
8993196
8993196

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Popular Name: 2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-6-(p-tolylmethoxy)benzofuran-3-one 2-[(1-ethyl-5-methoxy-indol-3-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) 5.94 2.97 -11.67 0 5 0 53 439.511 6 ↓

Analogs

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Popular Name: [4-[(Z)-(5,7-dimethyl-3-oxo-benzofuran-2-ylidene)methyl]-2-methoxy-phenyl] [4-[(Z)-(5,7-dimethyl-3-oxo-benz…

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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) 4.40 13.17 -15.07 0 6 0 79 416.429 6 ↓

Analogs

41505313
41505313

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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) 3.72 3.47 -14.83 0 6 0 70 377.396 6 ↓

Analogs

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Popular Name: 6-[(2-chlorophenyl)methoxy]-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]benzofuran-3-one 6-[(2-chlorophenyl)methoxy]-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) 5.74 2.44 -11.24 0 5 0 53 445.902 5 ↓

Analogs

16742202
16742202
16742201
16742201
9210186
9210186

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Popular Name: [4-[(Z)-(5,7-dimethyl-3-oxo-benzofuran-2-ylidene)methyl]-2-methoxy-phenyl] [4-[(Z)-(5,7-dimethyl-3-oxo-benz…

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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) 6.76 14.19 -11.96 0 6 0 75 499.346 6 ↓

Analogs

9158386
9158386
12861929
12861929

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Popular Name: [4-[(Z)-(5,7-dimethyl-3-oxo-benzofuran-2-ylidene)methyl]-2-methoxy-phenyl] [4-[(Z)-(5,7-dimethyl-3-oxo-benz…

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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) 6.78 16.61 -12.3 0 5 0 66 462.586 8 ↓

Analogs

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Popular Name: [4-[(Z)-(5,7-dimethyl-3-oxo-benzofuran-2-ylidene)methyl]-2-methoxy-phenyl] [4-[(Z)-(5,7-dimethyl-3-oxo-benz…

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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 13.54 -15.17 0 6 0 75 464.901 6 ↓

Analogs

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Popular Name: 6-[(2,4-dichlorophenyl)methoxy]-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-7-methyl-benzofuran-3-o 6-[(2,4-dichlorophenyl)methoxy]-…

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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) 6.77 2.69 -10.99 0 5 0 53 494.374 5 ↓

Analogs

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Popular Name: [4-[(Z)-(4,6-dimethyl-3-oxo-benzofuran-2-ylidene)methyl]-2-methoxy-phenyl] [4-[(Z)-(4,6-dimethyl-3-oxo-benz…

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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) 6.97 15.6 -15.52 0 5 0 66 490.964 5 ↓

Analogs

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Popular Name: [2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-3-oxo-benzofuran-6-yl] [2-[(5-methoxy-1-methyl-indol-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) 5.42 4.43 -16.77 0 7 0 79 455.466 6 ↓

Analogs

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Popular Name: [4-[(Z)-(4,6-dimethyl-3-oxo-benzofuran-2-ylidene)methyl]-2-methoxy-phenyl] [4-[(Z)-(4,6-dimethyl-3-oxo-benz…

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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) 7.39 16.28 -14.79 0 5 0 66 504.991 5 ↓

Analogs

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Popular Name: [2-[(1-ethylindol-3-yl)methylene]-7-methyl-3-oxo-benzofuran-6-yl] [2-[(1-ethylindol-3-yl)methylene…

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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) 5.61 3.54 -12.15 0 5 0 61 429.497 5 ↓

Analogs

11866400
11866400
6624009
6624009
6624044
6624044
4339874
4339874

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Popular Name: [4-[(Z)-(4,6-dimethyl-3-oxo-benzofuran-2-ylidene)methyl]-2-methoxy-phenyl] [4-[(Z)-(4,6-dimethyl-3-oxo-benz…

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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 13.54 -16.06 0 7 0 84 458.466 5 ↓

Analogs

41504517
41504517

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Popular Name: 6-benzyloxy-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-7-methyl-benzofuran-3-one 6-benzyloxy-2-[(5-methoxy-1-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.49 13.33 -12.07 0 5 0 54 425.484 5 ↓

Analogs

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Popular Name: [2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-7-methyl-3-oxo-benzofuran-6-yl] [2-[(5-methoxy-1-methyl-indol-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) 6.38 4.1 -12.95 0 6 0 70 473.912 5 ↓

Analogs

11866400
11866400
6624009
6624009
6624044
6624044
4339874
4339874

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Popular Name: [4-[(Z)-(4,6-dimethyl-3-oxo-benzofuran-2-ylidene)methyl]-2-methoxy-phenyl] [4-[(Z)-(4,6-dimethyl-3-oxo-benz…

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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 13.54 -15.6 0 7 0 84 458.466 5 ↓

Analogs

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Popular Name: 2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-6-[(2-methoxyphenyl)methoxy]benzofuran-3-one 2-[(5-methoxy-1-methyl-indol-3-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) 5.12 2.69 -12.36 0 6 0 62 441.483 6 ↓

Analogs

6624009
6624009
6624044
6624044
6192665
6192665

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Popular Name: [4-[(Z)-(4,6-dimethyl-3-oxo-benzofuran-2-ylidene)methyl]-2-methoxy-phenyl] [4-[(Z)-(4,6-dimethyl-3-oxo-benz…

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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) 4.40 13.17 -15 0 6 0 79 416.429 6 ↓

Analogs

41650831
41650831
41662023
41662023
41662029
41662029
41662138
41662138
41662144
41662144

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Popular Name: 2-[(1-ethylindol-3-yl)methylene]-6-hydroxy-7-(1-piperidylmethyl)benzofuran-3-one 2-[(1-ethylindol-3-yl)methylene]…

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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) 4.43 0.79 -40.84 2 5 1 59 403.502 4 ↓

Analogs

16742202
16742202
16742201
16742201
16806170
16806170
9210186
9210186

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Popular Name: [4-[(Z)-(4,6-dimethyl-3-oxo-benzofuran-2-ylidene)methyl]-2-methoxy-phenyl] [4-[(Z)-(4,6-dimethyl-3-oxo-benz…

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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) 6.76 14.19 -11.97 0 6 0 75 499.346 6 ↓

Analogs

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Popular Name: [2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-7-methyl-3-oxo-benzofuran-6-yl] [2-[(1-ethyl-5-methoxy-indol-3-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) 5.64 3.51 -13.89 0 6 0 70 459.523 6 ↓

Analogs

6756414
6756414
6624110
6624110
6624105
6624105
9158386
9158386

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Popular Name: [4-[(Z)-(4,6-dimethyl-3-oxo-benzofuran-2-ylidene)methyl]-2-methoxy-phenyl] [4-[(Z)-(4,6-dimethyl-3-oxo-benz…

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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) 6.78 16.61 -12.24 0 5 0 66 462.586 8 ↓

Analogs

8990468
8990468
8991717
8991717

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Popular Name: [7-methyl-2-[(1-methylindol-3-yl)methylene]-3-oxo-benzofuran-6-yl] [7-methyl-2-[(1-methylindol-3-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) 5.67 14.77 -12.47 0 5 0 61 409.441 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-7-methyl-3-oxo-benzofuran-6-yl] [2-[(5-methoxy-1-methyl-indol-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) 5.53 4.63 -13.9 0 6 0 70 465.505 6 ↓

Analogs

16742201
16742201
16742202
16742202
16806170
16806170
9210186
9210186

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(Z)-(4,6-dimethyl-3-oxo-benzofuran-2-ylidene)methyl]-2-methoxy-phenyl] [4-[(Z)-(4,6-dimethyl-3-oxo-benz…

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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 13.53 -15.12 0 6 0 75 464.901 6 ↓

Parameters Provided:

ring.id = 6783
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 = 6783 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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