UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (7Z)-7-[[4-(diethylamino)phenyl]methylene]-3-[2-(4-fluorophenyl)ethyl]-9-methyl-2,4-dihydrofuro[3,2- (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) 6.05 13.59 -48.29 1 5 0 47 487.595 7 ↓
Mid Mid (pH 6-8) 6.05 13.48 -11.2 0 5 0 46 486.587 7 ↓
Lo Low (pH 4.5-6) 6.05 16.48 -115.72 2 5 0 48 488.603 7 ↓

Analogs

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Popular Name: (7Z)-7-[[4-(diethylamino)phenyl]methylene]-9-methyl-3-(p-tolylmethyl)-2,4-dihydrofuro[3,2-g][1,3]ben (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) 5.93 13.34 -49.45 1 5 0 47 469.605 6 ↓
Mid Mid (pH 6-8) 5.93 13.25 -9.79 0 5 0 46 468.597 6 ↓
Lo Low (pH 4.5-6) 5.93 16.23 -110.37 2 5 0 48 470.613 6 ↓

Analogs

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Popular Name: (7Z)-7-[[4-(diethylamino)phenyl]methylene]-3-[2-(3,4-dimethoxyphenyl)ethyl]-9-methyl-2,4-dihydrofuro (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) 5.53 12.71 -53.92 1 7 0 66 529.657 9 ↓
Mid Mid (pH 6-8) 5.53 15.6 -120.77 2 7 0 67 530.665 9 ↓
Mid Mid (pH 6-8) 5.53 12.61 -14.23 0 7 0 64 528.649 9 ↓

Analogs

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Popular Name: (7Z)-3-[(2-chlorophenyl)methyl]-7-[[4-(diethylamino)phenyl]methylene]-9-methyl-2,4-dihydrofuro[3,2-g (7Z)-3-[(2-chlorophenyl)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) 6.11 13.23 -48.66 1 5 0 47 490.023 6 ↓
Mid Mid (pH 6-8) 6.11 13.12 -10.81 0 5 0 46 489.015 6 ↓
Lo Low (pH 4.5-6) 6.11 16.07 -108.82 2 5 0 48 491.031 6 ↓

Analogs

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Popular Name: (7Z)-7-[[4-(diethylamino)phenyl]methylene]-3-[2-(4-methoxyphenyl)ethyl]-9-methyl-2,4-dihydrofuro[3,2 (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) 5.94 12.81 -51.17 1 6 0 56 499.631 8 ↓
Mid Mid (pH 6-8) 5.94 15.7 -116.94 2 6 0 58 500.639 8 ↓
Mid Mid (pH 6-8) 5.94 12.71 -11.4 0 6 0 55 498.623 8 ↓

Analogs

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Popular Name: (7Z)-7-[[4-(diethylamino)phenyl]methylene]-3-[(4-fluorophenyl)methyl]-9-methyl-2,4-dihydrofuro[3,2-g (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) 5.64 12.73 -47.34 1 5 0 47 473.568 6 ↓
Mid Mid (pH 6-8) 5.64 12.63 -11.28 0 5 0 46 472.56 6 ↓
Lo Low (pH 4.5-6) 5.64 15.62 -112.37 2 5 0 48 474.576 6 ↓

Analogs

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Popular Name: (7Z)-3-[(4-chlorophenyl)methyl]-7-[[4-(diethylamino)phenyl]methylene]-9-methyl-2,4-dihydrofuro[3,2-g (7Z)-3-[(4-chlorophenyl)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) 6.16 13.18 -46.74 1 5 0 47 490.023 6 ↓
Mid Mid (pH 6-8) 6.16 13.07 -10.58 0 5 0 46 489.015 6 ↓
Lo Low (pH 4.5-6) 6.16 16.07 -111.23 2 5 0 48 491.031 6 ↓

Analogs

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Popular Name: (7Z)-7-[[4-(diethylamino)phenyl]methylene]-3-[(3,4-dimethoxyphenyl)methyl]-9-methyl-2,4-dihydrofuro[ (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) 5.12 11.86 -52.49 1 7 0 66 515.63 8 ↓
Mid Mid (pH 6-8) 5.12 11.77 -13.95 0 7 0 64 514.622 8 ↓
Lo Low (pH 4.5-6) 5.12 14.76 -116.09 2 7 0 67 516.638 8 ↓

Analogs

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Popular Name: (7Z)-7-[[4-(diethylamino)phenyl]methylene]-9-methyl-3-(3-phenylpropyl)-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) 6.40 14.31 -47.69 1 5 0 47 483.632 8 ↓
Mid Mid (pH 6-8) 6.40 17.19 -110.9 2 5 0 48 484.64 8 ↓
Mid Mid (pH 6-8) 6.40 14.21 -10.31 0 5 0 46 482.624 8 ↓

Analogs

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Popular Name: (7Z)-7-[[4-(diethylamino)phenyl]methylene]-9-methyl-3-(2-thienylmethyl)-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) 5.38 11.82 -49.66 1 5 0 47 461.607 6 ↓
Mid Mid (pH 6-8) 5.38 11.72 -10.34 0 5 0 46 460.599 6 ↓

Analogs

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Popular Name: (7Z)-3-[2-(4-chlorophenyl)ethyl]-7-[[4-(diethylamino)phenyl]methylene]-9-methyl-2,4-dihydrofuro[3,2- (7Z)-3-[2-(4-chlorophenyl)ethyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.56 14.04 -47.62 1 5 0 47 504.05 7 ↓
Mid Mid (pH 6-8) 6.56 13.93 -10.46 0 5 0 46 503.042 7 ↓
Lo Low (pH 4.5-6) 6.56 16.93 -117.73 2 5 0 48 505.058 7 ↓

Analogs

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Popular Name: (7Z)-3-[(2,4-dichlorophenyl)methyl]-7-[[4-(diethylamino)phenyl]methylene]-9-methyl-2,4-dihydrofuro[3 (7Z)-3-[(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) 6.76 13.74 -48.15 1 5 0 47 524.468 6 ↓
Mid Mid (pH 6-8) 6.76 13.63 -11.29 0 5 0 46 523.46 6 ↓
Lo Low (pH 4.5-6) 6.76 16.57 -112.03 2 5 0 48 525.476 6 ↓

Analogs

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Popular Name: (7Z)-3-[(3,4-dichlorophenyl)methyl]-7-[[4-(diethylamino)phenyl]methylene]-9-methyl-2,4-dihydrofuro[3 (7Z)-3-[(3,4-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) 6.76 13.64 -46.69 1 5 0 47 524.468 6 ↓
Mid Mid (pH 6-8) 6.76 13.53 -11.22 0 5 0 46 523.46 6 ↓
Lo Low (pH 4.5-6) 6.76 16.52 -116.71 2 5 0 48 525.476 6 ↓

Analogs

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Popular Name: (7Z)-3-[2-(2-chlorophenyl)ethyl]-7-[[4-(diethylamino)phenyl]methylene]-9-methyl-2,4-dihydrofuro[3,2- (7Z)-3-[2-(2-chlorophenyl)ethyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.51 13.93 -48.62 1 5 0 47 504.05 7 ↓
Mid Mid (pH 6-8) 6.51 13.82 -10.55 0 5 0 46 503.042 7 ↓
Lo Low (pH 4.5-6) 6.51 16.83 -113.08 2 5 0 48 505.058 7 ↓

Analogs

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Popular Name: (7Z)-7-[[4-(diethylamino)phenyl]methylene]-9-methyl-3-[(1S)-1-phenylethyl]-2,4-dihydrofuro[3,2-g][1, (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) 6.04 13.73 -48.48 1 5 0 47 469.605 6 ↓
Mid Mid (pH 6-8) 6.04 13.63 -8.88 0 5 0 46 468.597 6 ↓
Lo Low (pH 4.5-6) 6.04 16.2 -106.01 2 5 0 48 470.613 6 ↓

Analogs

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Popular Name: (7Z)-7-[[4-(diethylamino)phenyl]methylene]-9-methyl-3-[(1R)-1-phenylethyl]-2,4-dihydrofuro[3,2-g][1, (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) 6.04 13.65 -50.37 1 5 0 47 469.605 6 ↓
Mid Mid (pH 6-8) 6.04 13.43 -9.34 0 5 0 46 468.597 6 ↓
Lo Low (pH 4.5-6) 6.04 16.21 -110.13 2 5 0 48 470.613 6 ↓

Analogs

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Popular Name: (7Z)-3-cyclopropyl-7-[[4-(diethylamino)phenyl]methylene]-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxa (7Z)-3-cyclopropyl-7-[[4-(diethy…

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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) 4.44 10.34 -48.76 1 5 0 47 405.518 5 ↓
Mid Mid (pH 6-8) 4.44 10.24 -8.68 0 5 0 46 404.51 5 ↓
Mid Mid (pH 6-8) 4.44 13.34 -104.99 2 5 0 48 406.526 5 ↓

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)-3-cyclopentyl-7-[[4-(diethylamino)phenyl]methylene]-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxa (7Z)-3-cyclopentyl-7-[[4-(diethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.48 11.51 -46.19 1 5 0 47 433.572 5 ↓
Mid Mid (pH 6-8) 5.48 11.4 -8.21 0 5 0 46 432.564 5 ↓
Mid Mid (pH 6-8) 5.48 14.53 -104.88 2 5 0 48 434.58 5 ↓

Analogs

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Popular Name: (7Z)-3-cyclohexyl-7-[[4-(diethylamino)phenyl]methylene]-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxaz (7Z)-3-cyclohexyl-7-[[4-(diethyl…

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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) 5.98 11.99 -46.09 1 5 0 47 447.599 5 ↓
Mid Mid (pH 6-8) 5.98 14.99 -107.87 2 5 0 48 448.607 5 ↓
Mid Mid (pH 6-8) 5.98 11.88 -8.16 0 5 0 46 446.591 5 ↓

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-[(3R)-1,1-dioxothiolan-3-yl]-9-methyl-2,4-dihydrofuro[3 (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) 3.60 7.67 -59.21 1 7 0 81 483.61 5 ↓
Mid Mid (pH 6-8) 3.60 7.56 -19.95 0 7 0 80 482.602 5 ↓
Lo Low (pH 4.5-6) 3.60 10.47 -120.42 2 7 0 82 484.618 5 ↓

Analogs

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Popular Name: (7Z)-7-[[4-(diethylamino)phenyl]methylene]-3-[(3S)-1,1-dioxothiolan-3-yl]-9-methyl-2,4-dihydrofuro[3 (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) 3.60 7.69 -57.43 1 7 0 81 483.61 5 ↓
Mid Mid (pH 6-8) 3.60 7.59 -20.06 0 7 0 80 482.602 5 ↓
Lo Low (pH 4.5-6) 3.60 10.48 -117.86 2 7 0 82 484.618 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

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Popular Name: (7Z)-3-benzyl-7-[[4-(diethylamino)phenyl]methylene]-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6 (7Z)-3-benzyl-7-[[4-(diethylamin…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.48 12.67 -47.07 1 5 0 47 455.578 6 ↓
Mid Mid (pH 6-8) 5.48 12.57 -9.82 0 5 0 46 454.57 6 ↓
Lo Low (pH 4.5-6) 5.48 15.55 -107.13 2 5 0 48 456.586 6 ↓

Analogs

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Popular Name: (7Z)-7-[[4-(diethylamino)phenyl]methylene]-3-[2-(2-methoxyphenyl)ethyl]-9-methyl-2,4-dihydrofuro[3,2 (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) 5.89 12.87 -51.58 1 6 0 56 499.631 8 ↓
Mid Mid (pH 6-8) 5.89 12.77 -11.11 0 6 0 55 498.623 8 ↓
Lo Low (pH 4.5-6) 5.89 15.78 -108.64 2 6 0 58 500.639 8 ↓

Analogs

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Popular Name: (7Z)-7-[[4-(diethylamino)phenyl]methylene]-9-methyl-3-[[(2S)-tetrahydrofuran-2-yl]methyl]-2,4-dihydr (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) 4.45 10.1 -51.97 1 6 0 56 449.571 6 ↓
Mid Mid (pH 6-8) 4.45 10.05 -11.22 0 6 0 55 448.563 6 ↓
Lo Low (pH 4.5-6) 4.45 13.03 -108.71 2 6 0 58 450.579 6 ↓

Analogs

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Popular Name: (7Z)-7-[[4-(diethylamino)phenyl]methylene]-9-methyl-3-[[(2R)-tetrahydrofuran-2-yl]methyl]-2,4-dihydr (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) 4.45 10.06 -51.63 1 6 0 56 449.571 6 ↓
Mid Mid (pH 6-8) 4.45 9.96 -11.22 0 6 0 55 448.563 6 ↓
Lo Low (pH 4.5-6) 4.45 13.02 -106.95 2 6 0 58 450.579 6 ↓

Analogs

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Popular Name: (7Z)-7-[[4-(diethylamino)phenyl]methylene]-3-(2-furylmethyl)-9-methyl-2,4-dihydrofuro[3,2-g][1,3]ben (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) 4.73 10.83 -50.89 1 6 0 60 445.539 6 ↓
Mid Mid (pH 6-8) 4.73 10.73 -11.56 0 6 0 59 444.531 6 ↓
Lo Low (pH 4.5-6) 4.73 13.7 -111.3 2 6 0 61 446.547 6 ↓

Analogs

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Popular Name: (7Z)-7-[[4-(diethylamino)phenyl]methylene]-9-methyl-3-(3-pyridylmethyl)-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) 4.24 10.82 -47.96 1 6 0 60 456.566 6 ↓
Mid Mid (pH 6-8) 4.24 10.71 -11.68 0 6 0 59 455.558 6 ↓
Lo Low (pH 4.5-6) 4.24 11.27 -156.02 2 6 0 61 457.574 6 ↓

Analogs

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Popular Name: (7Z)-7-[[4-(diethylamino)phenyl]methylene]-9-methyl-3-(4-pyridylmethyl)-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) 4.19 10.9 -48.38 1 6 0 60 456.566 6 ↓
Mid Mid (pH 6-8) 4.19 10.8 -12.09 0 6 0 59 455.558 6 ↓
Lo Low (pH 4.5-6) 4.19 11.35 -158.77 2 6 0 61 457.574 6 ↓

Analogs

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Popular Name: (7Z)-7-[[4-(diethylamino)phenyl]methylene]-9-methyl-3-(2-pyridylmethyl)-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) 4.31 10.84 -50.33 1 6 0 60 456.566 6 ↓
Mid Mid (pH 6-8) 4.31 10.73 -12.6 0 6 0 59 455.558 6 ↓

Analogs

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Popular Name: (7Z)-7-[[4-(diethylamino)phenyl]methylene]-9-methyl-3-(3-morpholinopropyl)-2,4-dihydrofuro[3,2-g][1, (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) 4.22 9 -50.31 1 7 0 60 492.64 8 ↓
Mid Mid (pH 6-8) 4.22 11.27 -131.03 2 7 0 61 493.648 8 ↓
Mid Mid (pH 6-8) 4.22 8.9 -10.61 0 7 0 58 491.632 8 ↓

Analogs

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Popular Name: (7Z)-7-[[4-(diethylamino)phenyl]methylene]-9-methyl-3-(2-morpholinoethyl)-2,4-dihydrofuro[3,2-g][1,3 (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) 3.95 8.2 -49.63 1 7 0 60 478.613 7 ↓
Mid Mid (pH 6-8) 3.95 10.48 -128.54 2 7 0 61 479.621 7 ↓
Mid Mid (pH 6-8) 3.95 8.1 -10.13 0 7 0 58 477.605 7 ↓

Analogs

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Popular Name: (7Z)-7-[[4-(diethylamino)phenyl]methylene]-3-[(4-methoxyphenyl)methyl]-9-methyl-2,4-dihydrofuro[3,2- (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) 5.53 11.95 -50.73 1 6 0 56 485.604 7 ↓
Mid Mid (pH 6-8) 5.53 11.85 -11.63 0 6 0 55 484.596 7 ↓
Lo Low (pH 4.5-6) 5.53 14.85 -110.16 2 6 0 58 486.612 7 ↓

Analogs

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Popular Name: (7Z)-3-(1,3-benzodioxol-5-ylmethyl)-7-[[4-(diethylamino)phenyl]methylene]-9-methyl-2,4-dihydrofuro[3 (7Z)-3-(1,3-benzodioxol-5-ylmeth…

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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) 5.37 11.33 -51.54 1 7 0 66 499.587 6 ↓
Mid Mid (pH 6-8) 5.37 11.23 -13.37 0 7 0 64 498.579 6 ↓
Lo Low (pH 4.5-6) 5.37 14.2 -116.89 2 7 0 67 500.595 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[[4-(diethylamino)phenyl]methylene]-3-[(2-methoxyphenyl)methyl]-9-methyl-2,4-dihydrofuro[3,2- (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) 5.49 12.07 -51.32 1 6 0 56 485.604 7 ↓
Mid Mid (pH 6-8) 5.49 12.05 -11.17 0 6 0 55 484.596 7 ↓
Lo Low (pH 4.5-6) 5.49 15 -104.24 2 6 0 58 486.612 7 ↓

Analogs

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Popular Name: (7Z)-7-[[4-(diethylamino)phenyl]methylene]-9-methyl-3-[2-(2-thienyl)ethyl]-2,4-dihydrofuro[3,2-g][1, (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) 5.78 12.62 -49.51 1 5 0 47 475.634 7 ↓
Mid Mid (pH 6-8) 5.78 12.52 -9.84 0 5 0 46 474.626 7 ↓
Lo Low (pH 4.5-6) 5.78 15.52 -110.71 2 5 0 48 476.642 7 ↓

Analogs

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Popular Name: 3-[2-(4-fluorophenyl)ethyl]-7-isopropylidene-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one 3-[2-(4-fluorophenyl)ethyl]-7-is…

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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) 4.42 8.81 -9.8 0 4 0 43 367.42 3 ↓
Lo Low (pH 4.5-6) 4.42 11.69 -56.49 1 4 1 44 368.428 3 ↓

Analogs

41586699
41586699
41586709
41586709

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Popular Name: 7-isopropylidene-9-methyl-3-(p-tolylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one 7-isopropylidene-9-methyl-3-(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) 4.30 8.58 -8.49 0 4 0 43 349.43 2 ↓
Lo Low (pH 4.5-6) 4.30 11.45 -48.67 1 4 1 44 350.438 2 ↓

Analogs

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Popular Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-7-isopropylidene-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-o 3-[2-(3,4-dimethoxyphenyl)ethyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.90 7.95 -12.91 0 6 0 61 409.482 5 ↓
Mid Mid (pH 6-8) 3.90 10.83 -58.32 1 6 1 62 410.49 5 ↓

Analogs

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Popular Name: 3-[(2-chlorophenyl)methyl]-7-isopropylidene-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one 3-[(2-chlorophenyl)methyl]-7-iso…

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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) 4.48 8.51 -9.31 0 4 0 43 369.848 2 ↓

Analogs

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Popular Name: 7-isopropylidene-3-[2-(4-methoxyphenyl)ethyl]-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one 7-isopropylidene-3-[2-(4-methoxy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.31 8.06 -9.98 0 5 0 52 379.456 4 ↓
Mid Mid (pH 6-8) 4.31 10.93 -53.93 1 5 1 53 380.464 4 ↓

Analogs

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Popular Name: 3-[(4-fluorophenyl)methyl]-7-isopropylidene-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one 3-[(4-fluorophenyl)methyl]-7-iso…

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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 7.96 -9.84 0 4 0 43 353.393 2 ↓
Lo Low (pH 4.5-6) 4.01 10.84 -55.2 1 4 1 44 354.401 2 ↓

Analogs

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Popular Name: 3-[(4-chlorophenyl)methyl]-7-isopropylidene-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one 3-[(4-chlorophenyl)methyl]-7-iso…

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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 8.41 -9.17 0 4 0 43 369.848 2 ↓
Lo Low (pH 4.5-6) 4.53 11.29 -54.07 1 4 1 44 370.856 2 ↓

Analogs

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Popular Name: 3-[(3,4-dimethoxyphenyl)methyl]-7-isopropylidene-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-on 3-[(3,4-dimethoxyphenyl)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) 3.50 7.1 -12.69 0 6 0 61 395.455 4 ↓
Lo Low (pH 4.5-6) 3.50 9.97 -56.28 1 6 1 62 396.463 4 ↓

Analogs

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Popular Name: 7-isopropylidene-9-methyl-3-(3-phenylpropyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one 7-isopropylidene-9-methyl-3-(3-p…

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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) 4.77 9.56 -8.93 0 4 0 43 363.457 4 ↓
Mid Mid (pH 6-8) 4.77 12.39 -51 1 4 1 44 364.465 4 ↓

Analogs

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Popular Name: 7-isopropylidene-9-methyl-3-(2-thienylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one 7-isopropylidene-9-methyl-3-(2-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) 3.75 7.05 -8.99 0 4 0 43 341.432 2 ↓

Analogs

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Popular Name: 3-[2-(4-chlorophenyl)ethyl]-7-isopropylidene-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one 3-[2-(4-chlorophenyl)ethyl]-7-is…

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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) 4.93 9.28 -9.11 0 4 0 43 383.875 3 ↓
Lo Low (pH 4.5-6) 4.93 12.15 -55.22 1 4 1 44 384.883 3 ↓

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