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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: benzoic acid, 3-methyl-, 2-[[[1,5-dioxo-5-(3-phenylpropoxy)pentyl]amino]thioxomethyl]hydrazide benzoic acid, 3-methyl-, 2-[[[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) 3.75 12.52 -32.94 3 7 0 97 441.553 13 ↓

Analogs

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Popular Name: benzoic acid, 2-methyl-, 2-[[[1,5-dioxo-5-(3-phenylpropoxy)pentyl]amino]thioxomethyl]hydrazide benzoic acid, 2-methyl-, 2-[[[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) 3.73 12.53 -31.99 3 7 0 97 441.553 13 ↓

Analogs

12137513
12137513

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Popular Name: benzoic acid, 4-methyl-, 2-[[[1,5-dioxo-5-(3-phenylpropoxy)pentyl]amino]thioxomethyl]hydrazide benzoic acid, 4-methyl-, 2-[[[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) 3.77 12.54 -32.69 3 7 0 97 441.553 13 ↓

Analogs

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Popular Name: benzoic acid, 4-methoxy-, 2-[[[1,5-dioxo-5-(3-phenylpropoxy)pentyl]amino]thioxomethyl]hydrazide benzoic acid, 4-methoxy-, 2-[[[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) 3.38 11.17 -34.46 3 8 0 106 457.552 14 ↓

Analogs

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Popular Name: benzoic acid, 2,4-dichloro-, 2-[[[1,5-dioxo-5-(3-phenylpropoxy)pentyl]amino]thioxomethyl]hydrazide benzoic acid, 2,4-dichloro-, 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) 4.61 12.88 -34.93 3 7 0 97 496.416 13 ↓

Analogs

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Popular Name: benzoic acid, 4-(acetylamino)-, 2-[[[1,5-dioxo-5-(3-phenylpropoxy)pentyl]amino]thioxomethyl]hydrazide benzoic acid, 4-(acetylamino)-, …

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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) 2.54 10.76 -35.29 4 9 0 126 484.578 14 ↓

Analogs

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Popular Name: benzoic acid, 4-chloro-, 2-[[[1,5-dioxo-5-(3-phenylpropoxy)pentyl]amino]thioxomethyl]hydrazide benzoic acid, 4-chloro-, 2-[[[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) 4.00 12.38 -32.88 3 7 0 97 461.971 13 ↓

Analogs

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Popular Name: benzoic acid, 2-chloro-, 2-[[[1,5-dioxo-5-(3-phenylpropoxy)pentyl]amino]thioxomethyl]hydrazide benzoic acid, 2-chloro-, 2-[[[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) 3.96 12.37 -35.49 3 7 0 97 461.971 13 ↓

Analogs

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Popular Name: benzoic acid, 4-[(1-oxopropyl)amino]-, 2-[[[1,5-dioxo-5-(3-phenylpropoxy)pentyl]amino]thioxomethyl]hydrazide benzoic acid, 4-[(1-oxopropyl)am…

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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 11.58 -34.72 4 9 0 126 498.605 15 ↓

Analogs

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Popular Name: benzoic acid, 4-[(1-oxobutyl)amino]-, 2-[[[1,5-dioxo-5-(3-phenylpropoxy)pentyl]amino]thioxomethyl]hydrazide benzoic acid, 4-[(1-oxobutyl)ami…

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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) 3.94 12.35 -34.5 4 9 0 126 512.632 16 ↓

Analogs

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Popular Name: benzoic acid, 3-nitro-, 2-[[[1,5-dioxo-5-(3-phenylpropoxy)pentyl]amino]thioxomethyl]hydrazide benzoic acid, 3-nitro-, 2-[[[1,5…

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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) 3.26 12.55 -43.31 3 10 0 142 472.523 14 ↓
Mid Mid (pH 6-8) 3.30 12.33 -76.98 2 10 -1 143 471.515 13 ↓

Analogs

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Popular Name: benzoic acid, 4-(1,1-dimethylethyl)-, 2-[[[1,5-dioxo-5-(3-phenylpropoxy)pentyl]amino]thioxomethyl]hydrazide benzoic acid, 4-(1,1-dimethyleth…

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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) 5.03 14.18 -32.18 3 7 0 97 483.634 14 ↓

Analogs

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Popular Name: benzoic acid, 2-methoxy-, 2-[[[1,5-dioxo-5-(3-phenylpropoxy)pentyl]amino]thioxomethyl]hydrazide benzoic acid, 2-methoxy-, 2-[[[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) 3.88 12.4 -35.82 3 8 0 106 457.552 14 ↓

Analogs

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Popular Name: benzoic acid, 4-[(2-methyl-1-oxopropyl)amino]-, 2-[[[1,5-dioxo-5-(3-phenylpropoxy)pentyl]amino]thioxomethyl]hydrazide benzoic acid, 4-[(2-methyl-1-oxo…

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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 12.22 -34.49 4 9 0 126 512.632 15 ↓

Analogs

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Popular Name: benzoic acid, 4-[(1-oxopentyl)amino]-, 2-[[[1,5-dioxo-5-(3-phenylpropoxy)pentyl]amino]thioxomethyl]hydrazide benzoic acid, 4-[(1-oxopentyl)am…

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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 13.13 -34.53 4 9 0 126 526.659 17 ↓

Parameters Provided:

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