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-(2-thienylmethyl)-7,9-dihydrofuro[2,3-f][1,3]b (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) 5.38 11.77 -46.73 1 5 0 47 461.607 6 ↓
Mid Mid (pH 6-8) 5.38 11.66 -9.84 0 5 0 46 460.599 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-8-(2-thienylmethyl)-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) 5.00 11.11 -50.32 1 5 0 47 447.58 6 ↓
Mid Mid (pH 6-8) 5.00 11.01 -9.94 0 5 0 46 446.572 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-4-methyl-2-(p-tolylmethylene)-8-(2-thienylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-4-methyl-2-(p-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) 4.97 10.04 -8.98 0 4 0 43 403.503 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(4-fluorophenyl)methylene]-4-methyl-8-(2-thienylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (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) 4.68 9.45 -9.1 0 4 0 43 407.466 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(4-chlorophenyl)methylene]-4-methyl-8-(2-thienylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (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) 5.20 9.88 -8.61 0 4 0 43 423.921 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2,4-dichlorophenyl)methylene]-4-methyl-8-(2-thienylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzo (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) 5.81 10.31 -7.73 0 4 0 43 458.366 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2-chlorophenyl)methylene]-4-methyl-8-(2-thienylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (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) 5.15 9.8 -9.25 0 4 0 43 423.921 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2-fluorophenyl)methylene]-4-methyl-8-(2-thienylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (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) 4.64 9.41 -9.8 0 4 0 43 407.466 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2-methoxyphenyl)methylene]-4-methyl-8-(2-thienylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxaz (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) 4.53 8.72 -10.55 0 5 0 52 419.502 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylene]-4-methyl-8-(2-thienylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benz (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) 4.17 8.6 -12.08 0 6 0 61 449.528 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 4.15 8.51 -13.39 0 7 0 70 479.554 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2-chloro-6-fluoro-phenyl)methylene]-4-methyl-8-(2-thienylmethyl)-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) 5.27 9.86 -10.26 0 4 0 43 441.911 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2,4-dimethoxyphenyl)methylene]-4-methyl-8-(2-thienylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benz (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) 4.56 8.01 -11.12 0 6 0 61 449.528 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2,5-dimethoxyphenyl)methylene]-4-methyl-8-(2-thienylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benz (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) 4.56 8.01 -11.3 0 6 0 61 449.528 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(4-isopropylphenyl)methylene]-4-methyl-8-(2-thienylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzox (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) 6.03 11.28 -8.63 0 4 0 43 431.557 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-4-methyl-2-[(3-nitrophenyl)methylene]-8-(2-thienylmethyl)-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) 4.46 10.08 -12.16 0 7 0 89 434.473 4 ↓

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) 4.69 10.01 -11.62 0 6 0 69 447.512 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2,6-dichlorophenyl)methylene]-4-methyl-8-(2-thienylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzo (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) 5.78 10.25 -9.21 0 4 0 43 458.366 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(4-ethoxyphenyl)methylene]-4-methyl-8-(2-thienylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (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) 4.95 9.6 -9.99 0 5 0 52 433.529 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2-ethoxyphenyl)methylene]-4-methyl-8-(2-thienylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (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) 4.91 9.67 -10.32 0 5 0 52 433.529 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(4-methoxyphenyl)methylene]-4-methyl-8-(2-thienylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxaz (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) 4.58 8.68 -10.19 0 5 0 52 419.502 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(3-methoxyphenyl)methylene]-4-methyl-8-(2-thienylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxaz (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) 4.55 8.66 -10.39 0 5 0 52 419.502 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 4.52 9.36 -9.02 0 4 0 43 389.476 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 4.15 7.9 -13.2 0 7 0 70 479.554 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(5-bromo-2-methoxy-phenyl)methylene]-4-methyl-8-(2-thienylmethyl)-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) 5.32 9.34 -9.59 0 5 0 52 498.398 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2-bromophenyl)methylene]-4-methyl-8-(2-thienylmethyl)-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) 5.28 9.88 -9.15 0 4 0 43 468.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(3-fluorophenyl)methylene]-4-methyl-8-(2-thienylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (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) 4.66 9.43 -9.84 0 4 0 43 407.466 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(3-chlorophenyl)methylene]-4-methyl-8-(2-thienylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (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) 5.18 9.88 -9.15 0 4 0 43 423.921 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(3-bromophenyl)methylene]-4-methyl-8-(2-thienylmethyl)-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) 5.31 9.98 -9.15 0 4 0 43 468.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-4-methyl-2-(m-tolylmethylene)-8-(2-thienylmethyl)-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) 4.95 10.03 -8.85 0 4 0 43 403.503 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-4-methyl-2-(o-tolylmethylene)-8-(2-thienylmethyl)-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) 4.92 9.92 -8.81 0 4 0 43 403.503 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(4-ethylphenyl)methylene]-4-methyl-8-(2-thienylmethyl)-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) 5.44 10.81 -8.78 0 4 0 43 417.53 4 ↓

Analogs

8991493
8991493
28541901
28541901

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(4-tert-butylphenyl)methylene]-4-methyl-8-(2-thienylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzo (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) 6.23 11.68 -8.56 0 4 0 43 445.584 4 ↓

Analogs

8991493
8991493
28541897
28541897
28541901
28541901

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-4-methyl-2-[(4-nitrophenyl)methylene]-8-(2-thienylmethyl)-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) 4.48 10.08 -11.82 0 7 0 89 434.473 4 ↓

Analogs

8991493
8991493
28541901
28541901
28541897
28541897

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(4-bromophenyl)methylene]-4-methyl-8-(2-thienylmethyl)-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) 5.33 9.99 -8.53 0 4 0 43 468.372 3 ↓

Analogs

8991493
8991493
28541901
28541901
28541897
28541897

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(3,4-dichlorophenyl)methylene]-4-methyl-8-(2-thienylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzo (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) 5.81 10.34 -9.25 0 4 0 43 458.366 3 ↓

Analogs

8991493
8991493
28541901
28541901

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2,3-dimethoxyphenyl)methylene]-4-methyl-8-(2-thienylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benz (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) 4.34 8.72 -11.45 0 6 0 61 449.528 5 ↓

Analogs

8991493
8991493
28541901
28541901

Draw Identity 99% 90% 80% 70%

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

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) 4.35 8.67 -12.05 0 7 0 70 479.554 6 ↓

Analogs

8991493
8991493
28541901
28541901
28541897
28541897

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(4-dimethylaminophenyl)methylene]-4-methyl-8-(2-thienylmethyl)-7,9-dihydrofuro[2,3-f][1,3]be (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) 4.62 9.75 -10.31 0 5 0 46 432.545 4 ↓
Lo Low (pH 4.5-6) 4.62 10.53 -50.07 1 5 0 47 433.553 4 ↓

Analogs

28541901
28541901
8991493
8991493
20647113
20647113

Draw Identity 99% 90% 80% 70%

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

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) 4.59 9.39 -9.02 0 4 0 43 389.476 3 ↓

Analogs

28541901
28541901
9422719
9422719
8991493
8991493

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(4-fluorophenyl)methylene]-8-(2-thienylmethyl)-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) 4.31 8.76 -9.16 0 4 0 43 393.439 3 ↓

Analogs

28541901
28541901
9422719
9422719
8991493
8991493

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(4-chlorophenyl)methylene]-8-(2-thienylmethyl)-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) 4.82 9.21 -8.68 0 4 0 43 409.894 3 ↓

Analogs

8991493
8991493
28541901
28541901

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2,4-dichlorophenyl)methylene]-8-(2-thienylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-o (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) 5.43 9.64 -7.86 0 4 0 43 444.339 3 ↓

Analogs

28541901
28541901
8991493
8991493

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2-chlorophenyl)methylene]-8-(2-thienylmethyl)-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) 4.78 9.16 -9.17 0 4 0 43 409.894 3 ↓

Analogs

28541901
28541901
9422719
9422719
8991493
8991493

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2-fluorophenyl)methylene]-8-(2-thienylmethyl)-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) 4.26 8.77 -9.86 0 4 0 43 393.439 3 ↓

Analogs

8991493
8991493
28541901
28541901
20647113
20647113

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2-methoxyphenyl)methylene]-8-(2-thienylmethyl)-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) 4.15 8.09 -10.57 0 5 0 52 405.475 4 ↓

Analogs

28541901
28541901
8991493
8991493
20647113
20647113

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylene]-8-(2-thienylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3- (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) 3.79 7.94 -12.1 0 6 0 61 435.501 5 ↓

Analogs

28541901
28541901
8991493
8991493
20647113
20647113

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-(2-thienylmethyl)-2-[(3,4,5-trimethoxyphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (2Z)-8-(2-thienylmethyl)-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) 3.78 7.85 -13.29 0 7 0 70 465.527 6 ↓

Analogs

28541901
28541901
8991493
8991493
9422719
9422719

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2-chloro-6-fluoro-phenyl)methylene]-8-(2-thienylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxaz (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) 4.89 9.2 -9.94 0 4 0 43 427.884 3 ↓

Analogs

8991493
8991493
28541901
28541901
20647113
20647113

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2,4-dimethoxyphenyl)methylene]-8-(2-thienylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3- (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) 4.19 7.38 -11.1 0 6 0 61 435.501 5 ↓

Parameters Provided:

ring.id = 329205
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 = 329205 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=329205&filter.purchasability=annotated

Embed Link to Results