UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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) 3.37 9.97 -16.26 2 7 0 104 403.438 9 ↓

Analogs

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Popular Name: (Z)-2-cyano-3-(2-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide (Z)-2-cyano-3-(2-fluorophenyl)-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) 3.38 9.08 -10.17 2 4 0 69 333.366 5 ↓

Analogs

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Popular Name: (Z)-3-(3-bromophenyl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide (Z)-3-(3-bromophenyl)-2-cyano-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) 4.23 9.63 -10.45 2 4 0 69 394.272 5 ↓

Analogs

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Popular Name: (Z)-2-cyano-3-(3-ethoxy-4-prop-2-ynoxy-phenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide (Z)-2-cyano-3-(3-ethoxy-4-prop-2…

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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) 3.63 10.63 -16.06 2 6 0 87 413.477 9 ↓

Analogs

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Popular Name: (Z)-2-cyano-3-(4,5-dimethoxy-2-nitro-phenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide (Z)-2-cyano-3-(4,5-dimethoxy-2-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) 2.80 8.77 -13.97 2 9 0 133 420.425 8 ↓

Analogs

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Popular Name: (Z)-3-(3-chloro-4,5-dimethoxy-phenyl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide (Z)-3-(3-chloro-4,5-dimethoxy-ph…

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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 8.9 -15.17 2 6 0 87 409.873 7 ↓

Analogs

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Popular Name: (Z)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enamide (Z)-2-cyano-N-[2-(1H-indol-3-yl)…

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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) 3.29 7.49 -13.46 2 7 0 96 405.454 8 ↓

Analogs

15945127
15945127
6600561
6600561

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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) 3.33 10.63 -19.12 2 8 0 113 447.491 11 ↓

Analogs

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Popular Name: (Z)-3-(2-chlorophenyl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide (Z)-3-(2-chlorophenyl)-2-cyano-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) 3.90 9.47 -9.59 2 4 0 69 349.821 5 ↓

Analogs

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Popular Name: (Z)-2-cyano-3-(4-diethylaminophenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide (Z)-2-cyano-3-(4-diethylaminophe…

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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 11.33 -11 2 5 0 72 386.499 8 ↓

Analogs

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Popular Name: (Z)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-(o-tolyl)prop-2-enamide (Z)-2-cyano-N-[2-(1H-indol-3-yl)…

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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) 3.67 9.6 -10.37 2 4 0 69 329.403 5 ↓

Analogs

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Popular Name: (Z)-3-(4-allyloxy-3-methoxy-phenyl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide (Z)-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) 3.74 9.75 -14.08 2 6 0 87 401.466 9 ↓

Analogs

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Popular Name: (Z)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide (Z)-2-cyano-N-[2-(1H-indol-3-yl)…

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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 8.35 -11.92 2 5 0 78 345.402 6 ↓

Analogs

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Popular Name: (Z)-2-cyano-3-(4-hydroxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide (Z)-2-cyano-3-(4-hydroxyphenyl)-…

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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 6.21 -12.91 3 5 0 89 331.375 5 ↓

Analogs

4544505
4544505

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Popular Name: (Z)-2-cyano-3-(4-ethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide (Z)-2-cyano-3-(4-ethylphenyl)-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) 4.36 10.43 -10.38 2 4 0 69 343.43 6 ↓

Analogs

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Popular Name: CPD-8937; cinnamic acid serotonin amide; cinnamoylserotonin CPD-8937; cinnamic acid serotoni…

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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) 3.22 5.78 -14.94 3 4 0 65 306.365 5 ↓

Analogs

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Popular Name: Nb-Feruloyltryptamine Nb-Feruloyltryptamine

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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) 3.06 5.8 -15.98 3 5 0 74 336.391 6 ↓

Analogs

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Popular Name: (E)-2-acetamido-3-(4-ethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide (E)-2-acetamido-3-(4-ethoxypheny…

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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) 3.41 8.69 -21.62 3 6 0 83 391.471 8 ↓

Parameters Provided:

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filter.purchasability = annotated
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