UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (7Z)-7-[[4-(diethylamino)phenyl]methylene]-3-(2-methoxyethyl)-9-methyl-2,4-dihydrofuro[3,2-g][1,3]be (7Z)-7-[[4-(diethylamino)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) 4.06 8.87 -51.07 1 6 0 56 423.533 7 ↓
Mid Mid (pH 6-8) 4.06 8.8 -10.81 0 6 0 55 422.525 7 ↓
Lo Low (pH 4.5-6) 4.06 11.79 -108.44 2 6 0 58 424.541 7 ↓

Analogs

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Popular Name: (7Z)-7-[[4-(diethylamino)phenyl]methylene]-3-isopropyl-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazi (7Z)-7-[[4-(diethylamino)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) 4.75 10.12 -48.98 1 5 0 47 407.534 5 ↓
Mid Mid (pH 6-8) 4.75 10.02 -8.57 0 5 0 46 406.526 5 ↓
Mid Mid (pH 6-8) 4.75 13.12 -105 2 5 0 48 408.542 5 ↓

Analogs

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Popular Name: (7Z)-7-[[4-(diethylamino)phenyl]methylene]-3-(3-methoxypropyl)-9-methyl-2,4-dihydrofuro[3,2-g][1,3]b (7Z)-7-[[4-(diethylamino)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) 4.33 9.57 -49.99 1 6 0 56 437.56 8 ↓
Mid Mid (pH 6-8) 4.33 9.47 -10.32 0 6 0 55 436.552 8 ↓
Lo Low (pH 4.5-6) 4.33 12.45 -112.83 2 6 0 58 438.568 8 ↓

Analogs

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Popular Name: (7Z)-7-[[4-(diethylamino)phenyl]methylene]-3-isobutyl-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin (7Z)-7-[[4-(diethylamino)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) 5.20 11.7 -49.07 1 5 0 47 421.561 6 ↓
Mid Mid (pH 6-8) 5.20 14.07 -105.91 2 5 0 48 422.569 6 ↓
Mid Mid (pH 6-8) 5.20 11.42 -8.44 0 5 0 46 420.553 6 ↓

Analogs

41587373
41587373
41587554
41587554
41588053
41588053
54333088
54333088

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Popular Name: (7Z)-3-(2-methoxyethyl)-9-methyl-7-(p-tolylmethylene)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-3-(2-methoxyethyl)-9-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) 3.66 7.18 -9.85 0 5 0 52 365.429 4 ↓
Lo Low (pH 4.5-6) 3.66 10.05 -46.11 1 5 1 53 366.437 4 ↓

Analogs

41587376
41587376
41587494
41587494
41587557
41587557
41588059
41588059

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Popular Name: (7Z)-3-isopropyl-9-methyl-7-(p-tolylmethylene)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-3-isopropyl-9-methyl-7-(p-t…

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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) 4.35 8.4 -7.63 0 4 0 43 349.43 2 ↓
Mid Mid (pH 6-8) 4.35 11.39 -43.24 1 4 1 44 350.438 2 ↓

Analogs

41587379
41587379
41587558
41587558
41588065
41588065

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Popular Name: (7Z)-3-(3-methoxypropyl)-9-methyl-7-(p-tolylmethylene)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-3-(3-methoxypropyl)-9-methy…

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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) 3.93 7.85 -9.47 0 5 0 52 379.456 5 ↓
Lo Low (pH 4.5-6) 3.93 10.72 -49.71 1 5 1 53 380.464 5 ↓

Analogs

41587380
41587380
41587496
41587496
41587559
41587559
41588067
41588067

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Popular Name: (7Z)-3-isobutyl-9-methyl-7-(p-tolylmethylene)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-3-isobutyl-9-methyl-7-(p-to…

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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) 4.80 9.96 -7.7 0 4 0 43 363.457 3 ↓
Mid Mid (pH 6-8) 4.80 12.33 -45.76 1 4 1 44 364.465 3 ↓

Analogs

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Popular Name: (7Z)-7-[(4-fluorophenyl)methylene]-3-(2-methoxyethyl)-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin (7Z)-7-[(4-fluorophenyl)methylen…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.37 6.59 -9.82 0 5 0 52 369.392 4 ↓
Lo Low (pH 4.5-6) 3.37 9.44 -46.57 1 5 1 53 370.4 4 ↓

Analogs

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Popular Name: (7Z)-7-[(4-fluorophenyl)methylene]-3-isopropyl-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-7-[(4-fluorophenyl)methylen…

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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) 4.06 7.79 -7.63 0 4 0 43 353.393 2 ↓
Mid Mid (pH 6-8) 4.06 10.78 -43.74 1 4 1 44 354.401 2 ↓

Analogs

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Popular Name: (7Z)-7-[(4-fluorophenyl)methylene]-3-(3-methoxypropyl)-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazi (7Z)-7-[(4-fluorophenyl)methylen…

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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) 3.64 7.25 -9.5 0 5 0 52 383.419 5 ↓
Lo Low (pH 4.5-6) 3.64 10.12 -50.22 1 5 1 53 384.427 5 ↓

Analogs

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Popular Name: (7Z)-7-[(4-fluorophenyl)methylene]-3-isobutyl-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-7-[(4-fluorophenyl)methylen…

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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) 4.51 9.38 -7.7 0 4 0 43 367.42 3 ↓
Mid Mid (pH 6-8) 4.51 11.73 -46.31 1 4 1 44 368.428 3 ↓

Analogs

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Popular Name: (7Z)-7-[(4-chlorophenyl)methylene]-3-(2-methoxyethyl)-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin (7Z)-7-[(4-chlorophenyl)methylen…

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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) 3.89 7.03 -9.39 0 5 0 52 385.847 4 ↓
Lo Low (pH 4.5-6) 3.89 9.89 -46.12 1 5 1 53 386.855 4 ↓

Analogs

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Popular Name: (7Z)-7-[(4-chlorophenyl)methylene]-3-isopropyl-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-7-[(4-chlorophenyl)methylen…

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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) 4.58 8.25 -7.14 0 4 0 43 369.848 2 ↓
Mid Mid (pH 6-8) 4.58 11.23 -43.36 1 4 1 44 370.856 2 ↓

Analogs

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Popular Name: (7Z)-7-[(4-chlorophenyl)methylene]-3-(3-methoxypropyl)-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazi (7Z)-7-[(4-chlorophenyl)methylen…

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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 7.7 -9.02 0 5 0 52 399.874 5 ↓
Lo Low (pH 4.5-6) 4.16 10.57 -49.79 1 5 1 53 400.882 5 ↓

Analogs

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Popular Name: (7Z)-7-[(4-chlorophenyl)methylene]-3-isobutyl-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-7-[(4-chlorophenyl)methylen…

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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) 5.02 9.83 -7.2 0 4 0 43 383.875 3 ↓
Mid Mid (pH 6-8) 5.02 12.18 -45.9 1 4 1 44 384.883 3 ↓

Analogs

41587333
41587333

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Popular Name: (7Z)-7-[(2,4-dichlorophenyl)methylene]-3-(2-methoxyethyl)-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzox (7Z)-7-[(2,4-dichlorophenyl)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) 4.49 7.41 -7.91 0 5 0 52 420.292 4 ↓
Lo Low (pH 4.5-6) 4.49 10.29 -46.28 1 5 1 53 421.3 4 ↓

Analogs

41587336
41587336

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Popular Name: (7Z)-7-[(2,4-dichlorophenyl)methylene]-3-isopropyl-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6- (7Z)-7-[(2,4-dichlorophenyl)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) 5.18 8.69 -5.78 0 4 0 43 404.293 2 ↓
Mid Mid (pH 6-8) 5.18 11.67 -43.2 1 4 1 44 405.301 2 ↓

Analogs

41587339
41587339

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Popular Name: (7Z)-7-[(2,4-dichlorophenyl)methylene]-3-(3-methoxypropyl)-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzo (7Z)-7-[(2,4-dichlorophenyl)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) 4.76 8.13 -7.59 0 5 0 52 434.319 5 ↓
Lo Low (pH 4.5-6) 4.76 11 -49.7 1 5 1 53 435.327 5 ↓

Analogs

41587340
41587340

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Popular Name: (7Z)-7-[(2,4-dichlorophenyl)methylene]-3-isobutyl-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-o (7Z)-7-[(2,4-dichlorophenyl)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) 5.63 10.45 -5.82 0 4 0 43 418.32 3 ↓
Mid Mid (pH 6-8) 5.63 12.59 -46.13 1 4 1 44 419.328 3 ↓

Analogs

41587333
41587333

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Popular Name: (7Z)-7-[(2-chlorophenyl)methylene]-3-(2-methoxyethyl)-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin (7Z)-7-[(2-chlorophenyl)methylen…

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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) 3.84 6.9 -9.5 0 5 0 52 385.847 4 ↓
Lo Low (pH 4.5-6) 3.84 9.78 -47.07 1 5 1 53 386.855 4 ↓

Analogs

41587336
41587336

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Popular Name: (7Z)-7-[(2-chlorophenyl)methylene]-3-isopropyl-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-7-[(2-chlorophenyl)methylen…

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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 8.18 -7.38 0 4 0 43 369.848 2 ↓
Mid Mid (pH 6-8) 4.53 11.16 -44 1 4 1 44 370.856 2 ↓

Analogs

41587339
41587339

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Popular Name: (7Z)-7-[(2-chlorophenyl)methylene]-3-(3-methoxypropyl)-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazi (7Z)-7-[(2-chlorophenyl)methylen…

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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 7.62 -9.23 0 5 0 52 399.874 5 ↓
Lo Low (pH 4.5-6) 4.11 10.49 -50.36 1 5 1 53 400.882 5 ↓

Analogs

41587340
41587340

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Popular Name: (7Z)-7-[(2-chlorophenyl)methylene]-3-isobutyl-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-7-[(2-chlorophenyl)methylen…

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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) 4.98 9.57 -7.28 0 4 0 43 383.875 3 ↓
Mid Mid (pH 6-8) 4.98 12.1 -46.52 1 4 1 44 384.883 3 ↓

Analogs

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Popular Name: (7Z)-7-[(2-fluorophenyl)methylene]-3-(2-methoxyethyl)-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin (7Z)-7-[(2-fluorophenyl)methylen…

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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) 3.32 6.51 -10.08 0 5 0 52 369.392 4 ↓
Lo Low (pH 4.5-6) 3.32 9.4 -47.64 1 5 1 53 370.4 4 ↓

Analogs

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Popular Name: (7Z)-7-[(2-fluorophenyl)methylene]-3-isopropyl-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-7-[(2-fluorophenyl)methylen…

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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 7.79 -7.88 0 4 0 43 353.393 2 ↓
Mid Mid (pH 6-8) 4.01 10.77 -44.52 1 4 1 44 354.401 2 ↓

Analogs

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Popular Name: (7Z)-7-[(2-fluorophenyl)methylene]-3-(3-methoxypropyl)-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazi (7Z)-7-[(2-fluorophenyl)methylen…

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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 7.24 -9.77 0 5 0 52 383.419 5 ↓
Lo Low (pH 4.5-6) 3.60 10.11 -50.92 1 5 1 53 384.427 5 ↓

Analogs

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Popular Name: (7Z)-7-[(2-fluorophenyl)methylene]-3-isobutyl-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-7-[(2-fluorophenyl)methylen…

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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) 4.46 9.19 -7.84 0 4 0 43 367.42 3 ↓
Mid Mid (pH 6-8) 4.46 11.72 -47.05 1 4 1 44 368.428 3 ↓

Analogs

41587156
41587156
41587416
41587416

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Popular Name: (7Z)-3-isopropyl-7-[(2-methoxyphenyl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-3-isopropyl-7-[(2-methoxyph…

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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 7.11 -8.98 0 5 0 52 365.429 3 ↓
Mid Mid (pH 6-8) 3.91 10.09 -44.59 1 5 1 53 366.437 3 ↓

Analogs

41587157
41587157
41587419
41587419

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Popular Name: (7Z)-7-[(2-methoxyphenyl)methylene]-3-(3-methoxypropyl)-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxaz (7Z)-7-[(2-methoxyphenyl)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) 3.49 6.56 -10.77 0 6 0 61 395.455 6 ↓
Lo Low (pH 4.5-6) 3.49 9.43 -51.01 1 6 1 62 396.463 6 ↓

Analogs

41587158
41587158
41587420
41587420

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Popular Name: (7Z)-3-isobutyl-7-[(2-methoxyphenyl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-3-isobutyl-7-[(2-methoxyphe…

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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) 4.36 8.52 -9.05 0 5 0 52 379.456 4 ↓
Mid Mid (pH 6-8) 4.36 11 -47.4 1 5 1 53 380.464 4 ↓

Analogs

41587082
41587082

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Popular Name: (7Z)-7-[(3,4-dimethoxyphenyl)methylene]-3-(3-methoxypropyl)-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benz (7Z)-7-[(3,4-dimethoxyphenyl)met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.13 6.42 -12.26 0 7 0 70 425.481 7 ↓
Lo Low (pH 4.5-6) 3.13 9.29 -53.41 1 7 1 72 426.489 7 ↓

Analogs

41587083
41587083

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Popular Name: (7Z)-7-[(3,4-dimethoxyphenyl)methylene]-3-isobutyl-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6- (7Z)-7-[(3,4-dimethoxyphenyl)met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.99 8.53 -10.43 0 6 0 61 409.482 5 ↓
Mid Mid (pH 6-8) 3.99 10.9 -49.63 1 6 1 62 410.49 5 ↓

Analogs

62001276
62001276

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Popular Name: (7Z)-3-(2-methoxyethyl)-9-methyl-7-[(3,4,5-trimethoxyphenyl)methylene]-2,4-dihydrofuro[3,2-g][1,3]be (7Z)-3-(2-methoxyethyl)-9-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) 2.84 5.63 -13.72 0 8 0 80 441.48 7 ↓
Lo Low (pH 4.5-6) 2.84 8.48 -51.96 1 8 1 81 442.488 7 ↓

Analogs

62001278
62001278

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Popular Name: (7Z)-3-isopropyl-9-methyl-7-[(3,4,5-trimethoxyphenyl)methylene]-2,4-dihydrofuro[3,2-g][1,3]benzoxazi (7Z)-3-isopropyl-9-methyl-7-[(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) 3.53 6.83 -11.46 0 7 0 70 425.481 5 ↓
Mid Mid (pH 6-8) 3.53 9.79 -49.1 1 7 1 72 426.489 5 ↓

Analogs

41587053
41587053

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Popular Name: (7Z)-3-(3-methoxypropyl)-9-methyl-7-[(3,4,5-trimethoxyphenyl)methylene]-2,4-dihydrofuro[3,2-g][1,3]b (7Z)-3-(3-methoxypropyl)-9-methy…

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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) 3.11 6.28 -13.31 0 8 0 80 455.507 8 ↓
Lo Low (pH 4.5-6) 3.11 9.12 -55.67 1 8 1 81 456.515 8 ↓

Analogs

41587054
41587054

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Popular Name: (7Z)-3-isobutyl-9-methyl-7-[(3,4,5-trimethoxyphenyl)methylene]-2,4-dihydrofuro[3,2-g][1,3]benzoxazin (7Z)-3-isobutyl-9-methyl-7-[(3,4…

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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) 3.98 8.42 -11.48 0 7 0 70 439.508 6 ↓
Mid Mid (pH 6-8) 3.98 10.75 -51.89 1 7 1 72 440.516 6 ↓

Analogs

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Popular Name: (7Z)-7-[(2-chloro-6-fluoro-phenyl)methylene]-3-(2-methoxyethyl)-9-methyl-2,4-dihydrofuro[3,2-g][1,3] (7Z)-7-[(2-chloro-6-fluoro-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) 3.95 6.99 -11.14 0 5 0 52 403.837 4 ↓
Lo Low (pH 4.5-6) 3.95 9.88 -47.79 1 5 1 53 404.845 4 ↓

Analogs

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Popular Name: (7Z)-7-[(2-chloro-6-fluoro-phenyl)methylene]-3-isopropyl-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxa (7Z)-7-[(2-chloro-6-fluoro-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) 4.64 8.22 -8.92 0 4 0 43 387.838 2 ↓
Mid Mid (pH 6-8) 4.64 11.21 -44.88 1 4 1 44 388.846 2 ↓

Analogs

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Popular Name: (7Z)-7-[(2-chloro-6-fluoro-phenyl)methylene]-3-(3-methoxypropyl)-9-methyl-2,4-dihydrofuro[3,2-g][1,3 (7Z)-7-[(2-chloro-6-fluoro-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) 4.22 7.68 -10.86 0 5 0 52 417.864 5 ↓
Lo Low (pH 4.5-6) 4.22 10.55 -51.36 1 5 1 53 418.872 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(2-chloro-6-fluoro-phenyl)methylene]-3-isobutyl-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxaz (7Z)-7-[(2-chloro-6-fluoro-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) 5.09 9.63 -8.87 0 4 0 43 401.865 3 ↓
Mid Mid (pH 6-8) 5.09 12.16 -47.43 1 4 1 44 402.873 3 ↓

Analogs

41587416
41587416
41586953
41586953

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Popular Name: (7Z)-7-[(2,4-dimethoxyphenyl)methylene]-3-isopropyl-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6 (7Z)-7-[(2,4-dimethoxyphenyl)met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.94 6.42 -9.36 0 6 0 61 395.455 4 ↓
Mid Mid (pH 6-8) 3.94 9.39 -45.37 1 6 1 62 396.463 4 ↓

Analogs

41587419
41587419
41586954
41586954

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Popular Name: (7Z)-7-[(2,4-dimethoxyphenyl)methylene]-3-(3-methoxypropyl)-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benz (7Z)-7-[(2,4-dimethoxyphenyl)met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.52 5.87 -11.14 0 7 0 70 425.481 7 ↓
Lo Low (pH 4.5-6) 3.52 8.74 -51.68 1 7 1 72 426.489 7 ↓

Analogs

41587420
41587420
41586955
41586955

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Popular Name: (7Z)-7-[(2,4-dimethoxyphenyl)methylene]-3-isobutyl-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6- (7Z)-7-[(2,4-dimethoxyphenyl)met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.39 8.18 -9.47 0 6 0 61 409.482 5 ↓
Mid Mid (pH 6-8) 4.39 10.3 -48.2 1 6 1 62 410.49 5 ↓

Analogs

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Popular Name: (7Z)-7-[(2,5-dimethoxyphenyl)methylene]-3-isopropyl-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6 (7Z)-7-[(2,5-dimethoxyphenyl)met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.94 6.39 -10.22 0 6 0 61 395.455 4 ↓
Mid Mid (pH 6-8) 3.94 9.38 -45.37 1 6 1 62 396.463 4 ↓

Analogs

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Popular Name: (7Z)-7-[(2,5-dimethoxyphenyl)methylene]-3-(3-methoxypropyl)-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benz (7Z)-7-[(2,5-dimethoxyphenyl)met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.52 5.84 -12.1 0 7 0 70 425.481 7 ↓
Lo Low (pH 4.5-6) 3.52 8.72 -51.89 1 7 1 72 426.489 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(2,5-dimethoxyphenyl)methylene]-3-isobutyl-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6- (7Z)-7-[(2,5-dimethoxyphenyl)met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.39 8.16 -10.35 0 6 0 61 409.482 5 ↓
Mid Mid (pH 6-8) 4.39 10.28 -48.27 1 6 1 62 410.49 5 ↓

Analogs

41588127
41588127

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Popular Name: (7Z)-7-[(4-isopropylphenyl)methylene]-3-(2-methoxyethyl)-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxa (7Z)-7-[(4-isopropylphenyl)methy…

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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) 4.72 8.44 -9.46 0 5 0 52 393.483 5 ↓
Lo Low (pH 4.5-6) 4.72 11.29 -45.74 1 5 1 53 394.491 5 ↓

Analogs

41588133
41588133

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Popular Name: (7Z)-3-isopropyl-7-[(4-isopropylphenyl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-o (7Z)-3-isopropyl-7-[(4-isopropyl…

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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) 5.41 9.65 -7.27 0 4 0 43 377.484 3 ↓
Mid Mid (pH 6-8) 5.41 12.63 -42.91 1 4 1 44 378.492 3 ↓

Analogs

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Popular Name: (7Z)-7-[(4-isopropylphenyl)methylene]-3-(3-methoxypropyl)-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzox (7Z)-7-[(4-isopropylphenyl)methy…

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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) 4.99 9.1 -9.11 0 5 0 52 407.51 6 ↓
Lo Low (pH 4.5-6) 4.99 11.96 -49.36 1 5 1 53 408.518 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 = 325177 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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