UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-4-methyl-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]be (2Z)-2-[[4-(diethylamino)phenyl]…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.40 14.24 -49.74 1 5 0 47 483.632 8 ↓
Mid Mid (pH 6-8) 6.40 14.14 -10.09 0 5 0 46 482.624 8 ↓
Lo Low (pH 4.5-6) 6.40 17.08 -109.96 2 5 0 48 484.64 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin- (2Z)-2-[[4-(diethylamino)phenyl]…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 13.59 -50.91 1 5 0 47 469.605 8 ↓
Mid Mid (pH 6-8) 6.02 13.49 -10.13 0 5 0 46 468.597 8 ↓
Lo Low (pH 4.5-6) 6.02 16.42 -117.58 2 5 0 48 470.613 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-4-methyl-8-(3-phenylpropyl)-2-(p-tolylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-4-methyl-8-(3-phenylpropyl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.00 12.51 -9.13 0 4 0 43 425.528 5 ↓
Lo Low (pH 4.5-6) 6.00 15.35 -51.06 1 4 1 44 426.536 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(4-fluorophenyl)methylene]-4-methyl-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (2Z)-2-[(4-fluorophenyl)methylen…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 11.92 -9.15 0 4 0 43 429.491 5 ↓
Lo Low (pH 4.5-6) 5.71 14.74 -52.01 1 4 1 44 430.499 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(4-chlorophenyl)methylene]-4-methyl-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (2Z)-2-[(4-chlorophenyl)methylen…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.22 12.36 -8.66 0 4 0 43 445.946 5 ↓
Lo Low (pH 4.5-6) 6.22 15.2 -51.41 1 4 1 44 446.954 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2,4-dichlorophenyl)methylene]-4-methyl-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzox (2Z)-2-[(2,4-dichlorophenyl)meth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.83 12.78 -7.69 0 4 0 43 480.391 5 ↓
Lo Low (pH 4.5-6) 6.83 15.62 -53.95 1 4 1 44 481.399 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2-chlorophenyl)methylene]-4-methyl-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (2Z)-2-[(2-chlorophenyl)methylen…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.18 12.27 -9.25 0 4 0 43 445.946 5 ↓
Lo Low (pH 4.5-6) 6.18 15.1 -54.4 1 4 1 44 446.954 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2-fluorophenyl)methylene]-4-methyl-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (2Z)-2-[(2-fluorophenyl)methylen…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.66 11.89 -9.86 0 4 0 43 429.491 5 ↓
Lo Low (pH 4.5-6) 5.66 14.72 -55.3 1 4 1 44 430.499 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2-methoxyphenyl)methylene]-4-methyl-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (2Z)-2-[(2-methoxyphenyl)methyle…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.55 11.2 -10.69 0 5 0 52 441.527 6 ↓
Lo Low (pH 4.5-6) 5.55 14.03 -53.52 1 5 1 53 442.535 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylene]-4-methyl-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzo (2Z)-2-[(3,4-dimethoxyphenyl)met…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.19 11.08 -12.11 0 6 0 61 471.553 7 ↓
Lo Low (pH 4.5-6) 5.19 13.91 -56.32 1 6 1 62 472.561 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-4-methyl-8-(3-phenylpropyl)-2-[(3,4,5-trimethoxyphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]be (2Z)-4-methyl-8-(3-phenylpropyl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 10.99 -13.22 0 7 0 70 501.579 8 ↓
Lo Low (pH 4.5-6) 5.18 13.82 -58.88 1 7 1 72 502.587 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2-chloro-6-fluoro-phenyl)methylene]-4-methyl-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3] (2Z)-2-[(2-chloro-6-fluoro-pheny…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.29 12.34 -10.49 0 4 0 43 463.936 5 ↓
Lo Low (pH 4.5-6) 6.29 15.18 -49.75 1 4 1 44 464.944 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2,4-dimethoxyphenyl)methylene]-4-methyl-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzo (2Z)-2-[(2,4-dimethoxyphenyl)met…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.59 10.49 -11.16 0 6 0 61 471.553 7 ↓
Lo Low (pH 4.5-6) 5.59 13.33 -55.6 1 6 1 62 472.561 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2,5-dimethoxyphenyl)methylene]-4-methyl-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzo (2Z)-2-[(2,5-dimethoxyphenyl)met…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.59 10.48 -11.5 0 6 0 61 471.553 7 ↓
Lo Low (pH 4.5-6) 5.59 13.33 -50.09 1 6 1 62 472.561 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(4-isopropylphenyl)methylene]-4-methyl-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-2-[(4-isopropylphenyl)methy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 7.06 13.75 -8.72 0 4 0 43 453.582 6 ↓
Lo Low (pH 4.5-6) 7.06 16.59 -51.21 1 4 1 44 454.59 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-4-methyl-2-[(3-nitrophenyl)methylene]-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin- (2Z)-4-methyl-2-[(3-nitrophenyl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 12.55 -11.98 0 7 0 89 456.498 6 ↓
Lo Low (pH 4.5-6) 5.48 15.39 -61.5 1 7 1 90 457.506 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.72 12.48 -11.54 0 6 0 69 469.537 7 ↓
Lo Low (pH 4.5-6) 5.72 15.33 -52.41 1 6 1 70 470.545 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2,6-dichlorophenyl)methylene]-4-methyl-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzox (2Z)-2-[(2,6-dichlorophenyl)meth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.81 12.72 -9.51 0 4 0 43 480.391 5 ↓
Lo Low (pH 4.5-6) 6.81 15.56 -49.11 1 4 1 44 481.399 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(4-ethoxyphenyl)methylene]-4-methyl-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (2Z)-2-[(4-ethoxyphenyl)methylen…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.98 12.08 -10.04 0 5 0 52 455.554 7 ↓
Lo Low (pH 4.5-6) 5.98 14.91 -53.57 1 5 1 53 456.562 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2-ethoxyphenyl)methylene]-4-methyl-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (2Z)-2-[(2-ethoxyphenyl)methylen…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.93 12.14 -10.45 0 5 0 52 455.554 7 ↓
Lo Low (pH 4.5-6) 5.93 14.98 -53.43 1 5 1 53 456.562 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(4-methoxyphenyl)methylene]-4-methyl-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (2Z)-2-[(4-methoxyphenyl)methyle…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.60 11.15 -10.27 0 5 0 52 441.527 6 ↓
Lo Low (pH 4.5-6) 5.60 13.99 -53.63 1 5 1 53 442.535 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(3-methoxyphenyl)methylene]-4-methyl-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (2Z)-2-[(3-methoxyphenyl)methyle…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.58 11.13 -10.62 0 5 0 52 441.527 6 ↓
Lo Low (pH 4.5-6) 5.58 13.97 -48.25 1 5 1 53 442.535 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-benzylidene-4-methyl-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-benzylidene-4-methyl-8-(3…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.55 11.84 -9.15 0 4 0 43 411.501 5 ↓
Lo Low (pH 4.5-6) 5.55 14.67 -51.11 1 4 1 44 412.509 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-4-methyl-8-(3-phenylpropyl)-2-[(2,4,5-trimethoxyphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]be (2Z)-4-methyl-8-(3-phenylpropyl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 10.37 -13.19 0 7 0 70 501.579 8 ↓
Lo Low (pH 4.5-6) 5.18 13.22 -56.91 1 7 1 72 502.587 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(5-bromo-2-methoxy-phenyl)methylene]-4-methyl-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3] (2Z)-2-[(5-bromo-2-methoxy-pheny…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.34 11.81 -9.73 0 5 0 52 520.423 6 ↓
Lo Low (pH 4.5-6) 6.34 14.67 -49.01 1 5 1 53 521.431 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2-bromophenyl)methylene]-4-methyl-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin- (2Z)-2-[(2-bromophenyl)methylene…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.31 12.35 -9.21 0 4 0 43 490.397 5 ↓
Lo Low (pH 4.5-6) 6.31 15.2 -54.53 1 4 1 44 491.405 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(3-fluorophenyl)methylene]-4-methyl-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (2Z)-2-[(3-fluorophenyl)methylen…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.69 11.9 -9.95 0 4 0 43 429.491 5 ↓
Lo Low (pH 4.5-6) 5.69 14.74 -47.64 1 4 1 44 430.499 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(3-chlorophenyl)methylene]-4-methyl-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (2Z)-2-[(3-chlorophenyl)methylen…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.20 12.36 -9.32 0 4 0 43 445.946 5 ↓
Lo Low (pH 4.5-6) 6.20 15.19 -47.45 1 4 1 44 446.954 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(3-bromophenyl)methylene]-4-methyl-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin- (2Z)-2-[(3-bromophenyl)methylene…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.33 12.45 -9.29 0 4 0 43 490.397 5 ↓
Lo Low (pH 4.5-6) 6.33 15.29 -47.31 1 4 1 44 491.405 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-4-methyl-2-(m-tolylmethylene)-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-4-methyl-2-(m-tolylmethylen…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 12.5 -9 0 4 0 43 425.528 5 ↓
Lo Low (pH 4.5-6) 5.97 15.34 -51.1 1 4 1 44 426.536 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-4-methyl-2-(o-tolylmethylene)-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-4-methyl-2-(o-tolylmethylen…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.95 12.4 -8.96 0 4 0 43 425.528 5 ↓
Lo Low (pH 4.5-6) 5.95 15.24 -50.84 1 4 1 44 426.536 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(4-ethylphenyl)methylene]-4-methyl-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin- (2Z)-2-[(4-ethylphenyl)methylene…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.46 13.28 -8.85 0 4 0 43 439.555 6 ↓
Lo Low (pH 4.5-6) 6.46 16.13 -51.01 1 4 1 44 440.563 6 ↓

Analogs

12442513
12442513
12442511
12442511
12442578
12442578

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(4-tert-butylphenyl)methylene]-4-methyl-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzox (2Z)-2-[(4-tert-butylphenyl)meth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 7.25 14.16 -8.61 0 4 0 43 467.609 6 ↓
Lo Low (pH 4.5-6) 7.25 16.99 -51.09 1 4 1 44 468.617 6 ↓

Analogs

12442578
12442578
12442513
12442513
12442511
12442511

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-4-methyl-2-[(4-nitrophenyl)methylene]-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin- (2Z)-4-methyl-2-[(4-nitrophenyl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 12.55 -11.71 0 7 0 89 456.498 6 ↓
Lo Low (pH 4.5-6) 5.50 15.39 -56.79 1 7 1 90 457.506 6 ↓

Analogs

12442578
12442578
12442511
12442511
12442513
12442513

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(4-bromophenyl)methylene]-4-methyl-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin- (2Z)-2-[(4-bromophenyl)methylene…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.36 12.46 -8.51 0 4 0 43 490.397 5 ↓
Lo Low (pH 4.5-6) 6.36 15.3 -51.38 1 4 1 44 491.405 5 ↓

Analogs

12442511
12442511
12442513
12442513
12442578
12442578

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(3,4-dichlorophenyl)methylene]-4-methyl-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzox (2Z)-2-[(3,4-dichlorophenyl)meth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.83 12.81 -9.27 0 4 0 43 480.391 5 ↓
Lo Low (pH 4.5-6) 6.83 15.65 -48.54 1 4 1 44 481.399 5 ↓

Analogs

12442578
12442578
12442511
12442511
12442513
12442513

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2,3-dimethoxyphenyl)methylene]-4-methyl-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzo (2Z)-2-[(2,3-dimethoxyphenyl)met…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.37 11.19 -11.52 0 6 0 61 471.553 7 ↓
Lo Low (pH 4.5-6) 5.37 14.03 -57.04 1 6 1 62 472.561 7 ↓

Analogs

12442578
12442578
12442511
12442511
12442513
12442513

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-4-methyl-8-(3-phenylpropyl)-2-[(2,3,4-trimethoxyphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]be (2Z)-4-methyl-8-(3-phenylpropyl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.38 11.14 -12.07 0 7 0 70 501.579 8 ↓
Lo Low (pH 4.5-6) 5.38 13.98 -58.96 1 7 1 72 502.587 8 ↓

Analogs

12442578
12442578
9344305
9344305
12442511
12442511

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(4-dimethylaminophenyl)methylene]-4-methyl-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]ben (2Z)-2-[(4-dimethylaminophenyl)m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.65 12.23 -10.47 0 5 0 46 454.57 6 ↓
Lo Low (pH 4.5-6) 5.65 15.84 -112.78 2 5 0 48 456.586 6 ↓
Lo Low (pH 4.5-6) 5.65 15.07 -52.21 1 5 1 47 455.578 6 ↓

Analogs

12442616
12442616
12442614
12442614
12442691
12442691

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-(3-phenylpropyl)-2-(p-tolylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-(3-phenylpropyl)-2-(p-tol…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 11.86 -9.21 0 4 0 43 411.501 5 ↓
Lo Low (pH 4.5-6) 5.62 14.7 -51.34 1 4 1 44 412.509 5 ↓

Analogs

12442516
12442516
12442614
12442614

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(4-fluorophenyl)methylene]-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-[(4-fluorophenyl)methylen…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.33 11.24 -9.26 0 4 0 43 415.464 5 ↓
Lo Low (pH 4.5-6) 5.33 14.1 -52.29 1 4 1 44 416.472 5 ↓

Analogs

12442614
12442614
12442616
12442616
12442691
12442691

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(4-chlorophenyl)methylene]-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-[(4-chlorophenyl)methylen…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.85 11.69 -8.7 0 4 0 43 431.919 5 ↓
Lo Low (pH 4.5-6) 5.85 14.55 -51.72 1 4 1 44 432.927 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2,4-dichlorophenyl)methylene]-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-on (2Z)-2-[(2,4-dichlorophenyl)meth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.45 12.13 -7.82 0 4 0 43 466.364 5 ↓
Lo Low (pH 4.5-6) 6.45 14.98 -54.31 1 4 1 44 467.372 5 ↓

Analogs

8993000
8993000
12442614
12442614
12442616
12442616

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2-chlorophenyl)methylene]-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-[(2-chlorophenyl)methylen…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 11.62 -9.37 0 4 0 43 431.919 5 ↓
Lo Low (pH 4.5-6) 5.80 14.46 -54.69 1 4 1 44 432.927 5 ↓

Analogs

12442616
12442616
12442614
12442614
12442516
12442516

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2-fluorophenyl)methylene]-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-[(2-fluorophenyl)methylen…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.29 11.23 -9.99 0 4 0 43 415.464 5 ↓
Lo Low (pH 4.5-6) 5.29 14.09 -55.62 1 4 1 44 416.472 5 ↓

Analogs

12442616
12442616
12442614
12442614
12442618
12442618

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2-methoxyphenyl)methylene]-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-[(2-methoxyphenyl)methyle…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 10.57 -10.67 0 5 0 52 427.5 6 ↓
Lo Low (pH 4.5-6) 5.18 13.4 -53.86 1 5 1 53 428.508 6 ↓

Analogs

12442612
12442612
12442618
12442618
32056354
32056354

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylene]-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-o (2Z)-2-[(3,4-dimethoxyphenyl)met…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.82 10.41 -12.19 0 6 0 61 457.526 7 ↓
Lo Low (pH 4.5-6) 4.82 13.25 -56.92 1 6 1 62 458.534 7 ↓

Analogs

12442612
12442612
12442618
12442618
32056354
32056354

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-(3-phenylpropyl)-2-[(3,4,5-trimethoxyphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin- (2Z)-8-(3-phenylpropyl)-2-[(3,4,…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 10.31 -13.33 0 7 0 70 487.552 8 ↓
Lo Low (pH 4.5-6) 4.80 13.16 -59.21 1 7 1 72 488.56 8 ↓

Analogs

9577284
9577284
2194694
2194694

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2-chloro-6-fluoro-phenyl)methylene]-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (2Z)-2-[(2-chloro-6-fluoro-pheny…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.92 11.67 -10.43 0 4 0 43 449.909 5 ↓
Lo Low (pH 4.5-6) 5.92 14.53 -49.95 1 4 1 44 450.917 5 ↓

Analogs

12442616
12442616
12442614
12442614
12442618
12442618

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2,4-dimethoxyphenyl)methylene]-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-o (2Z)-2-[(2,4-dimethoxyphenyl)met…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 9.85 -11.21 0 6 0 61 457.526 7 ↓
Lo Low (pH 4.5-6) 5.21 12.7 -55.99 1 6 1 62 458.534 7 ↓

Parameters Provided:

ring.id = 329204
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 = 329204 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=329204&filter.purchasability=annotated

Embed Link to Results