UCSF
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Analogs

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Popular Name: (E)-2-cyano-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]prop-2-enami (E)-2-cyano-3-(4-hydroxy-3-metho…

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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) 1.32 3.75 -17.17 2 9 0 137 347.327 6 ↓

Analogs

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Popular Name: (E)-2-cyano-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]prop-2-enami (E)-2-cyano-3-(4-hydroxy-3-metho…

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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) 1.32 3.78 -16.76 2 9 0 137 347.327 6 ↓

Analogs

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Popular Name: (E)-3-(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)-2-cyano-N-[[(2S)-tetrahydrofuran-2-yl]methyl]prop-2- (E)-3-(3-bromo-5-methoxy-4-prop-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.61 6.63 -13.08 1 6 0 81 419.275 7 ↓

Analogs

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Popular Name: (E)-3-(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)-2-cyano-N-[[(2R)-tetrahydrofuran-2-yl]methyl]prop-2- (E)-3-(3-bromo-5-methoxy-4-prop-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.61 6.66 -12.91 1 6 0 81 419.275 7 ↓

Analogs

4525034
4525034
4525036
4525036

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Popular Name: (E)-2-cyano-3-(2-hydroxy-3-methoxy-5-nitro-phenyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]prop-2-enami (E)-2-cyano-3-(2-hydroxy-3-metho…

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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) 1.14 3.09 -13.43 2 9 0 137 347.327 6 ↓

Analogs

4525034
4525034
4525036
4525036

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Popular Name: (E)-2-cyano-3-(2-hydroxy-3-methoxy-5-nitro-phenyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]prop-2-enami (E)-2-cyano-3-(2-hydroxy-3-metho…

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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) 1.14 3.12 -13.55 2 9 0 137 347.327 6 ↓

Analogs

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Popular Name: (E)-2-cyano-3-(2-methoxy-5-nitro-phenyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]acrylamide (E)-2-cyano-3-(2-methoxy-5-nitro…

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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) 1.63 -0.08 -14.37 1 8 0 117 331.328 6 ↓

Analogs

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Popular Name: (E)-2-cyano-3-(2-methoxy-5-nitro-phenyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]acrylamide (E)-2-cyano-3-(2-methoxy-5-nitro…

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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) 1.63 -0.09 -14.41 1 8 0 117 331.328 6 ↓

Analogs

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Popular Name: 2-[2-chloro-4-[(E)-2-cyano-3-keto-3-[[(2R)-tetrahydrofuran-2-yl]methylamino]prop-1-enyl]-6-ethoxy-ph 2-[2-chloro-4-[(E)-2-cyano-3-ket…

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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) 1.94 -0.69 -59.09 1 8 -1 120 407.83 9 ↓

Analogs

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Popular Name: 2-[2-chloro-4-[(E)-2-cyano-3-keto-3-[[(2S)-tetrahydrofuran-2-yl]methylamino]prop-1-enyl]-6-ethoxy-ph 2-[2-chloro-4-[(E)-2-cyano-3-ket…

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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) 1.94 -0.78 -58.8 1 8 -1 120 407.83 9 ↓

Analogs

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Popular Name: (E)-3-(3-ethoxy-4-propoxy-phenyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]prop-2-enamide (E)-3-(3-ethoxy-4-propoxy-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) 3.04 6.97 -11.45 1 5 0 57 333.428 9 ↓

Analogs

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Popular Name: (E)-3-(3-ethoxy-4-propoxy-phenyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]prop-2-enamide (E)-3-(3-ethoxy-4-propoxy-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) 3.04 6.99 -11.38 1 5 0 57 333.428 9 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.56 8.3 -13.66 0 5 0 56 303.358 6 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.56 7.97 -11.06 0 5 0 56 303.358 6 ↓

Analogs

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Popular Name: (E)-3-(2-fluorophenyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]but-2-enamide (E)-3-(2-fluorophenyl)-N-[[(2S)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.14 5.97 -8.94 1 3 0 38 263.312 4 ↓

Analogs

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Popular Name: (Z)-3-(2-fluorophenyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]but-2-enamide (Z)-3-(2-fluorophenyl)-N-[[(2S)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.14 5.86 -8.38 1 3 0 38 263.312 4 ↓

Analogs

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Popular Name: (E)-3-(2-fluorophenyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]but-2-enamide (E)-3-(2-fluorophenyl)-N-[[(2R)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.14 5.99 -8.52 1 3 0 38 263.312 4 ↓

Analogs

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Popular Name: (Z)-3-(2-fluorophenyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]but-2-enamide (Z)-3-(2-fluorophenyl)-N-[[(2R)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.14 5.89 -8.72 1 3 0 38 263.312 4 ↓

Analogs

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Popular Name: (E)-3-(2-fluorophenyl)-N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]but-2-enamide (E)-3-(2-fluorophenyl)-N-[(1S)-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.47 7.29 -7.74 1 3 0 38 277.339 4 ↓

Analogs

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Popular Name: (Z)-3-(2-fluorophenyl)-N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]but-2-enamide (Z)-3-(2-fluorophenyl)-N-[(1S)-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.47 7.21 -8 1 3 0 38 277.339 4 ↓

Analogs

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Popular Name: (E)-3-(2-fluorophenyl)-N-[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]but-2-enamide (E)-3-(2-fluorophenyl)-N-[(1R)-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.47 6.76 -8 1 3 0 38 277.339 4 ↓

Analogs

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Popular Name: (Z)-3-(2-fluorophenyl)-N-[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]but-2-enamide (Z)-3-(2-fluorophenyl)-N-[(1R)-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.47 6.68 -7.56 1 3 0 38 277.339 4 ↓

Analogs

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Popular Name: (Z)-3-(4-fluorophenyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]but-2-enamide (Z)-3-(4-fluorophenyl)-N-[[(2S)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.19 5.88 -8.44 1 3 0 38 263.312 4 ↓

Analogs

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Popular Name: (Z)-3-(4-fluorophenyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]but-2-enamide (Z)-3-(4-fluorophenyl)-N-[[(2R)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.19 5.9 -8.31 1 3 0 38 263.312 4 ↓

Analogs

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Popular Name: (Z)-3-(4-fluorophenyl)-N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]but-2-enamide (Z)-3-(4-fluorophenyl)-N-[(1S)-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.52 7.21 -7.76 1 3 0 38 277.339 4 ↓

Analogs

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Popular Name: (Z)-3-(4-fluorophenyl)-N-[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]but-2-enamide (Z)-3-(4-fluorophenyl)-N-[(1R)-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.52 6.67 -7.47 1 3 0 38 277.339 4 ↓

Analogs

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Popular Name: (Z)-3-(4-fluorophenyl)-N-[(1S)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]but-2-enamide (Z)-3-(4-fluorophenyl)-N-[(1S)-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.52 6.65 -7.35 1 3 0 38 277.339 4 ↓

Analogs

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Popular Name: (Z)-3-(4-fluorophenyl)-N-[(1R)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]but-2-enamide (Z)-3-(4-fluorophenyl)-N-[(1R)-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.52 7.19 -7.55 1 3 0 38 277.339 4 ↓

Analogs

41778666
41778666

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Popular Name: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]prop-2-enamide (E)-3-(3-chloro-5-ethoxy-4-metho…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.97 5.9 -9.99 1 5 0 57 339.819 7 ↓

Analogs

41778664
41778664

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Popular Name: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]prop-2-enamide (E)-3-(3-chloro-5-ethoxy-4-metho…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.97 5.92 -9.93 1 5 0 57 339.819 7 ↓

Analogs

41778670
41778670

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Popular Name: (E)-3-(4-allyloxy-3-methoxy-phenyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]prop-2-enamide (E)-3-(4-allyloxy-3-methoxy-phen…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.44 5.83 -11.98 1 5 0 57 317.385 8 ↓

Analogs

41778668
41778668

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Popular Name: (E)-3-(4-allyloxy-3-methoxy-phenyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]prop-2-enamide (E)-3-(4-allyloxy-3-methoxy-phen…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.44 5.85 -11.86 1 5 0 57 317.385 8 ↓

Analogs

41778712
41778712
18051190
18051190
18051193
18051193

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Popular Name: (Z)-3-(5-bromo-2-methoxy-phenyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]prop-2-enamide (Z)-3-(5-bromo-2-methoxy-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) 2.76 5.05 -8.85 1 4 0 48 340.217 5 ↓

Analogs

41778711
41778711
18051190
18051190
18051193
18051193

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Popular Name: (Z)-3-(5-bromo-2-methoxy-phenyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]prop-2-enamide (Z)-3-(5-bromo-2-methoxy-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) 2.76 5.07 -8.86 1 4 0 48 340.217 5 ↓

Analogs

41778746
41778746
41778836
41778836
41778838
41778838
4037635
4037635
4037636
4037636

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Popular Name: (E)-3-(4-butoxy-3-methoxy-phenyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]prop-2-enamide (E)-3-(4-butoxy-3-methoxy-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) 3.23 6.83 -11.56 1 5 0 57 333.428 9 ↓

Analogs

41778836
41778836
41778838
41778838
41778744
41778744
4037635
4037635

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Popular Name: (E)-3-(4-butoxy-3-methoxy-phenyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]prop-2-enamide (E)-3-(4-butoxy-3-methoxy-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) 3.23 6.85 -11.43 1 5 0 57 333.428 9 ↓

Analogs

41778838
41778838
41778744
41778744
41778746
41778746
4037635
4037635

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Popular Name: (E)-3-(3-methoxy-4-propoxy-phenyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]prop-2-enamide (E)-3-(3-methoxy-4-propoxy-pheny…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.67 6.05 -11.58 1 5 0 57 319.401 8 ↓

Analogs

41778836
41778836
41778744
41778744
41778746
41778746

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Popular Name: (E)-3-(3-methoxy-4-propoxy-phenyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]prop-2-enamide (E)-3-(3-methoxy-4-propoxy-pheny…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.67 6.07 -11.44 1 5 0 57 319.401 8 ↓

Analogs

41778876
41778876
147564
147564
147566
147566

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Popular Name: (E)-3-(3-ethoxy-4-methoxy-phenyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]prop-2-enamide (E)-3-(3-ethoxy-4-methoxy-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) 2.17 5.25 -11.88 1 5 0 57 305.374 7 ↓

Analogs

41778874
41778874
147564
147564

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Popular Name: (E)-3-(3-ethoxy-4-methoxy-phenyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]prop-2-enamide (E)-3-(3-ethoxy-4-methoxy-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) 2.17 5.27 -11.76 1 5 0 57 305.374 7 ↓

Analogs

41778902
41778902
40950133
40950133
40950135
40950135

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Popular Name: (Z)-3-(2-ethoxyphenyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]prop-2-enamide (Z)-3-(2-ethoxyphenyl)-N-[[(2S)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.35 5.35 -8.95 1 4 0 48 275.348 6 ↓

Analogs

41778901
41778901
40950133
40950133
40950135
40950135

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Popular Name: (Z)-3-(2-ethoxyphenyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]prop-2-enamide (Z)-3-(2-ethoxyphenyl)-N-[[(2R)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.35 5.37 -8.72 1 4 0 48 275.348 6 ↓

Analogs

41778904
41778904
41778905
41778905
41778906
41778906

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Popular Name: (Z)-3-(2-bromophenyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]prop-2-enamide (Z)-3-(2-bromophenyl)-N-[[(2S)-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) 2.73 5.62 -7.09 1 3 0 38 310.191 4 ↓

Analogs

41778905
41778905
41778906
41778906
41778903
41778903

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(2-bromophenyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]prop-2-enamide (E)-3-(2-bromophenyl)-N-[[(2S)-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) 2.73 5.62 -10.14 1 3 0 38 310.191 4 ↓

Analogs

41778906
41778906
41778903
41778903
41778904
41778904

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-3-(2-bromophenyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]prop-2-enamide (Z)-3-(2-bromophenyl)-N-[[(2R)-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) 2.73 5.64 -7.35 1 3 0 38 310.191 4 ↓

Analogs

41778903
41778903
41778904
41778904
41778905
41778905

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(2-bromophenyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]prop-2-enamide (E)-3-(2-bromophenyl)-N-[[(2R)-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) 2.73 5.64 -10.01 1 3 0 38 310.191 4 ↓

Analogs

41779005
41779005
41779006
41779006
41779007
41779007
32102475
32102475
32111338
32111338

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Popular Name: (Z)-3-(4-dimethylaminophenyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]prop-2-enamide (Z)-3-(4-dimethylaminophenyl)-N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.25 5.46 -9.43 1 4 0 42 274.364 5 ↓

Analogs

41779006
41779006
41779007
41779007
41779004
41779004
32111338
32111338

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(4-dimethylaminophenyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]prop-2-enamide (E)-3-(4-dimethylaminophenyl)-N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.25 5.5 -9.43 1 4 0 42 274.364 5 ↓

Analogs

41779007
41779007
41779004
41779004
41779005
41779005
32102475
32102475

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-3-(4-dimethylaminophenyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]prop-2-enamide (Z)-3-(4-dimethylaminophenyl)-N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.25 5.48 -9.3 1 4 0 42 274.364 5 ↓

Analogs

41779004
41779004
41779005
41779005
41779006
41779006
32102475
32102475

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(4-dimethylaminophenyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]prop-2-enamide (E)-3-(4-dimethylaminophenyl)-N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.25 5.52 -9.32 1 4 0 42 274.364 5 ↓

Parameters Provided:

ring.id = 58986
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 = 58986 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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