UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4924405
4924405
4931351
4931351
5096749
5096749

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Popular Name: N-(3-butoxypropyl)-5-(2-furyl)-2-phenyl-pyrazole-3-carboxamide N-(3-butoxypropyl)-5-(2-furyl)-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) 3.60 8.62 -11.81 1 6 0 69 367.449 10 ↓

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) 1.91 9.87 -21.13 1 7 0 86 367.405 8 ↓

Analogs

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Popular Name: N-(2-acetamidoethyl)-3-(5-methyl-2-furyl)-1-phenyl-pyrazole-4-carboxamide N-(2-acetamidoethyl)-3-(5-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) 0.96 6.71 -20.97 2 7 0 89 352.394 6 ↓

Analogs

36618257
36618257

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Popular Name: 3-(5-methyl-2-furyl)-1-phenyl-N-prop-2-ynyl-pyrazole-4-carboxamide 3-(5-methyl-2-furyl)-1-phenyl-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) 1.98 8.81 -18.44 1 5 0 60 305.337 4 ↓

Analogs

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Popular Name: N-[2-(isopropylamino)-2-oxo-ethyl]-3-(5-methyl-2-furyl)-1-phenyl-pyrazole-4-carboxamide N-[2-(isopropylamino)-2-oxo-ethy…

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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) 2.10 7.66 -16.5 2 7 0 89 366.421 6 ↓

Analogs

5096749
5096749
16605548
16605548
16605551
16605551

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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) 1.73 6.99 -19.04 1 7 0 86 339.351 7 ↓

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) 2.42 10.7 -23.63 1 7 0 86 381.432 9 ↓

Analogs

42927260
42927260

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Popular Name: N-isopentyl-3-(5-methyl-2-furyl)-1-phenyl-pyrazole-4-carboxamide N-isopentyl-3-(5-methyl-2-furyl)…

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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) 3.47 10.36 -18.98 1 5 0 60 337.423 6 ↓

Analogs

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Popular Name: (2-butylamino-2-oxo-ethyl) (2-butylamino-2-oxo-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) 3.00 11.05 -17.41 1 7 0 86 381.432 9 ↓

Analogs

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Popular Name: 3-(2-furyl)-1-(2-methoxyphenyl)pyrazole-4-carbaldehyde 3-(2-furyl)-1-(2-methoxyphenyl)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) 2.41 6.79 -12.42 0 5 0 57 268.272 4 ↓

Analogs

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Popular Name: 1-(2-methoxyphenyl)-3-(5-methyl-2-furyl)pyrazole-4-carbaldehyde 1-(2-methoxyphenyl)-3-(5-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) 2.64 7.61 -12.15 0 5 0 57 282.299 4 ↓

Analogs

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Popular Name: 3-(2-furyl)-1-(2-methoxyphenyl)pyrazole-4-carboxylic 3-(2-furyl)-1-(2-methoxyphenyl)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) 2.20 8.2 -60.07 0 6 -1 80 283.263 4 ↓

Analogs

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Popular Name: 5-(5-bromo-2-furyl)-2-(2-methoxyphenyl)pyrazol-3-amine 5-(5-bromo-2-furyl)-2-(2-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) 3.24 6.4 -10.56 2 5 0 66 334.173 3 ↓
Mid Mid (pH 6-8) 3.24 6.36 -24.54 3 5 1 67 335.181 3 ↓

Analogs

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Popular Name: 5-(2-furyl)-2-(2-methoxyphenyl)pyrazol-3-amine 5-(2-furyl)-2-(2-methoxyphenyl)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) 2.30 5.67 -12.97 2 5 0 66 255.277 3 ↓
Mid Mid (pH 6-8) 2.30 5.64 -22.89 3 5 1 67 256.285 3 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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 8.4 -17.37 2 8 0 98 382.42 6 ↓

Analogs

6273642
6273642

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Popular Name: 5-(2-furyl)-N-pentyl-2-phenyl-pyrazole-3-carboxamide 5-(2-furyl)-N-pentyl-2-phenyl-py…

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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) 3.85 0.83 -11.24 1 5 0 60 323.396 7 ↓

Analogs

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Popular Name: (E)-N,N-dimethyl-3-[3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide (E)-N,N-dimethyl-3-[3-(5-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) 2.08 9.69 -17.61 0 5 0 51 321.38 4 ↓

Analogs

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Popular Name: (E)-3-[3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide (E)-3-[3-(5-methyl-2-furyl)-1-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) 1.90 6.27 -17.21 2 5 0 74 293.326 4 ↓

Analogs

42927260
42927260

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Popular Name: 3-(5-methyl-2-furyl)-N-pentyl-1-phenyl-pyrazole-4-carboxamide 3-(5-methyl-2-furyl)-N-pentyl-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) 3.76 10.67 -16.92 1 5 0 60 337.423 7 ↓

Analogs

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Popular Name: N-(2-diethylaminoethyl)-3-(5-methyl-2-furyl)-1-phenyl-pyrazole-4-carboxamide N-(2-diethylaminoethyl)-3-(5-met…

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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) 2.60 10.99 -51.56 2 6 1 65 367.473 8 ↓
Hi High (pH 8-9.5) 2.60 8.89 -17.34 1 6 0 63 366.465 8 ↓

Analogs

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Popular Name: 3-(2-furyl)-1-(4-methoxyphenyl)pyrazole-4-carbaldehyde 3-(2-furyl)-1-(4-methoxyphenyl)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) 2.25 6.46 -10.12 0 5 0 57 268.272 4 ↓

Analogs

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Popular Name: 1-(4-methoxyphenyl)-3-(5-methyl-2-furyl)pyrazole-4-carbaldehyde 1-(4-methoxyphenyl)-3-(5-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) 2.47 7.28 -9.74 0 5 0 57 282.299 4 ↓

Analogs

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Popular Name: 3-(2-furyl)-1-(4-methoxyphenyl)pyrazole-4-carboxylic 3-(2-furyl)-1-(4-methoxyphenyl)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) 2.03 7.89 -54.96 0 6 -1 80 283.263 4 ↓

Analogs

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Popular Name: 5-(5-bromo-2-furyl)-2-(4-methoxyphenyl)pyrazol-3-amine 5-(5-bromo-2-furyl)-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) 3.07 6.29 -7.97 2 5 0 66 334.173 3 ↓
Mid Mid (pH 6-8) 3.07 6.37 -27.7 3 5 1 67 335.181 3 ↓

Analogs

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Popular Name: 5-(2-furyl)-2-(4-methoxyphenyl)pyrazol-3-amine 5-(2-furyl)-2-(4-methoxyphenyl)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) 2.14 5.56 -10.12 2 5 0 66 255.277 3 ↓
Mid Mid (pH 6-8) 2.14 5.64 -25.72 3 5 1 67 256.285 3 ↓

Analogs

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Popular Name: N-(2-amino-2-oxo-ethyl)-5-(2-furyl)-2-phenyl-pyrazole-3-carboxamide N-(2-amino-2-oxo-ethyl)-5-(2-fur…

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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) 0.64 2.44 -14.29 3 7 0 103 310.313 5 ↓

Analogs

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Popular Name: (E)-N,N-bis(2-cyanoethyl)-3-[3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide (E)-N,N-bis(2-cyanoethyl)-3-[3-(…

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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) 1.44 12.67 -25.12 0 7 0 99 399.454 8 ↓

Analogs

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Popular Name: (E)-N-(2-cyanoethyl)-N-methyl-3-[3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide (E)-N-(2-cyanoethyl)-N-methyl-3-…

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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) 1.98 11.2 -21.62 0 6 0 75 360.417 6 ↓

Analogs

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Popular Name: 5-(5-bromo-2-furyl)-2-(4-nitrophenyl)pyrazol-3-amine 5-(5-bromo-2-furyl)-2-(4-nitroph…

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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 7.23 -10.31 2 7 0 103 349.144 3 ↓

Analogs

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Popular Name: 5-(2-furyl)-2-(4-nitrophenyl)pyrazol-3-amine 5-(2-furyl)-2-(4-nitrophenyl)pyr…

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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) 2.04 6.98 -10.6 2 7 0 103 270.248 3 ↓

Analogs

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Popular Name: 5-(5-bromo-2-furyl)-2-(2-nitrophenyl)pyrazol-3-amine 5-(5-bromo-2-furyl)-2-(2-nitroph…

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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) 3.14 7.36 -18.06 2 7 0 103 349.144 3 ↓
Lo Low (pH 4.5-6) 3.14 7.74 -58.84 3 7 1 104 350.152 3 ↓

Analogs

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Popular Name: 5-(2-furyl)-2-(2-nitrophenyl)pyrazol-3-amine 5-(2-furyl)-2-(2-nitrophenyl)pyr…

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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) 2.21 7.11 -17.78 2 7 0 103 270.248 3 ↓
Lo Low (pH 4.5-6) 2.21 7.01 -59.94 3 7 1 104 271.256 3 ↓

Analogs

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Popular Name: 5-(5-bromo-2-furyl)-2-(4-chlorophenyl)pyrazol-3-amine 5-(5-bromo-2-furyl)-2-(4-chlorop…

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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) 3.69 7.53 -6.65 2 4 0 57 338.592 2 ↓
Lo Low (pH 4.5-6) 3.69 7.6 -28.75 3 4 1 58 339.6 2 ↓

Analogs

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Popular Name: 1-(4-chlorophenyl)-3-(furan-2-yl)-1H-pyrazol-5-amine 1-(4-chlorophenyl)-3-(furan-2-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) 2.76 6.79 -8.74 2 4 0 57 259.696 2 ↓
Lo Low (pH 4.5-6) 2.76 6.88 -26.6 3 4 1 58 260.704 2 ↓

Analogs

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Popular Name: 5-(5-bromo-2-furyl)-2-(2,4-difluorophenyl)pyrazol-3-amine 5-(5-bromo-2-furyl)-2-(2,4-diflu…

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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) 3.48 7.13 -9.17 2 4 0 57 340.127 2 ↓
Lo Low (pH 4.5-6) 3.48 7.17 -27.73 3 4 1 58 341.135 2 ↓

Analogs

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Popular Name: 5-(5-bromo-2-furyl)-2-(3,4-dichlorophenyl)pyrazol-3-amine 5-(5-bromo-2-furyl)-2-(3,4-dichl…

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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) 4.51 7.97 -5.73 2 4 0 57 373.037 2 ↓
Lo Low (pH 4.5-6) 4.51 8.05 -30.03 3 4 1 58 374.045 2 ↓

Analogs

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Popular Name: 2-(3,4-dichlorophenyl)-5-(2-furyl)pyrazol-3-amine 2-(3,4-dichlorophenyl)-5-(2-fury…

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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) 3.58 7.23 -9.38 2 4 0 57 294.141 2 ↓
Lo Low (pH 4.5-6) 3.58 7.33 -28.9 3 4 1 58 295.149 2 ↓

Analogs

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Popular Name: 5-(2-furyl)-2-[3-(trifluoromethyl)phenyl]pyrazol-3-amine 5-(2-furyl)-2-[3-(trifluoromethy…

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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) 3.17 7.3 -11.58 2 4 0 57 293.248 3 ↓
Mid Mid (pH 6-8) 3.17 7.37 -28.73 3 4 1 58 294.256 3 ↓
Mid Mid (pH 6-8) 3.17 7.03 -56.87 3 4 1 59 294.256 3 ↓

Analogs

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Popular Name: 5-(5-bromo-2-furyl)-2-(2,4-dichlorophenyl)pyrazol-3-amine 5-(5-bromo-2-furyl)-2-(2,4-dichl…

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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) 4.51 8.11 -7.46 2 4 0 57 373.037 2 ↓
Lo Low (pH 4.5-6) 4.51 7.92 -27.11 3 4 1 58 374.045 2 ↓

Analogs

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Popular Name: 2-(2,4-dichlorophenyl)-5-(2-furyl)pyrazol-3-amine 2-(2,4-dichlorophenyl)-5-(2-fury…

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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) 3.58 7.38 -9.45 2 4 0 57 294.141 2 ↓
Lo Low (pH 4.5-6) 3.58 7.18 -25.2 3 4 1 58 295.149 2 ↓

Analogs

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Popular Name: 5-(5-bromo-2-furyl)-2-(2-fluorophenyl)pyrazol-3-amine 5-(5-bromo-2-furyl)-2-(2-fluorop…

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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) 3.34 7.06 -11.09 2 4 0 57 322.137 2 ↓
Mid Mid (pH 6-8) 3.34 6.83 -52.25 3 4 1 59 323.145 2 ↓
Lo Low (pH 4.5-6) 3.34 7.1 -25.7 3 4 1 58 323.145 2 ↓

Analogs

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Popular Name: 5-(5-bromo-2-furyl)-2-(4-bromophenyl)pyrazol-3-amine 5-(5-bromo-2-furyl)-2-(4-bromoph…

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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) 3.82 7.63 -6.55 2 4 0 57 383.043 2 ↓
Lo Low (pH 4.5-6) 3.82 7.71 -28.85 3 4 1 58 384.051 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-bromophenyl)-5-(2-furyl)pyrazol-3-amine 2-(4-bromophenyl)-5-(2-furyl)pyr…

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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) 2.89 6.89 -8.61 2 4 0 57 304.147 2 ↓
Lo Low (pH 4.5-6) 2.89 6.98 -26.71 3 4 1 58 305.155 2 ↓

Analogs

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Popular Name: 5-(5-bromo-2-furyl)-2-(3-chloro-4-methyl-phenyl)pyrazol-3-amine 5-(5-bromo-2-furyl)-2-(3-chloro-…

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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) 4.28 8.1 -6.39 2 4 0 57 352.619 2 ↓
Lo Low (pH 4.5-6) 4.28 7.84 -46.07 3 4 1 59 353.627 2 ↓
Lo Low (pH 4.5-6) 4.28 8.18 -27.19 3 4 1 58 353.627 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(5-bromo-2-furyl)-2-(4-fluorophenyl)pyrazol-3-amine 5-(5-bromo-2-furyl)-2-(4-fluorop…

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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) 3.18 7.07 -6.97 2 4 0 57 322.137 2 ↓
Lo Low (pH 4.5-6) 3.18 7.15 -29.23 3 4 1 58 323.145 2 ↓

Analogs

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Popular Name: 5-(5-bromo-2-furyl)-2-(o-tolyl)pyrazol-3-amine 5-(5-bromo-2-furyl)-2-(o-tolyl)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) 3.63 7.84 -7.49 2 4 0 57 318.174 2 ↓
Mid Mid (pH 6-8) 3.63 7.38 -25.32 3 4 1 58 319.182 2 ↓

Analogs

35778595
35778595

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Popular Name: 5-(5-bromo-2-furyl)-2-(m-tolyl)pyrazol-3-amine 5-(5-bromo-2-furyl)-2-(m-tolyl)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) 3.65 7.68 -8.03 2 4 0 57 318.174 2 ↓
Mid Mid (pH 6-8) 3.65 7.75 -26 3 4 1 58 319.182 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(5-bromo-2-furyl)-2-(3-chlorophenyl)pyrazol-3-amine 5-(5-bromo-2-furyl)-2-(3-chlorop…

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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 7.52 -6.48 2 4 0 57 338.592 2 ↓
Lo Low (pH 4.5-6) 3.88 7.59 -27.39 3 4 1 58 339.6 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(5-bromo-2-furyl)-2-(2,5-dimethylphenyl)pyrazol-3-amine 5-(5-bromo-2-furyl)-2-(2,5-dimet…

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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) 4.26 8.5 -7.21 2 4 0 57 332.201 2 ↓
Mid Mid (pH 6-8) 4.26 8.28 -25.25 3 4 1 58 333.209 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(5-bromo-2-furyl)-2-(p-tolyl)pyrazol-3-amine 5-(5-bromo-2-furyl)-2-(p-tolyl)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) 3.46 7.69 -7.73 2 4 0 57 318.174 2 ↓
Mid Mid (pH 6-8) 3.46 7.76 -25.96 3 4 1 58 319.182 2 ↓
Mid Mid (pH 6-8) 3.46 7.42 -48.34 3 4 1 59 319.182 2 ↓

Parameters Provided:

ring.id = 6930
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 = 6930 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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