UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

21728784
21728784
21728788
21728788
21728812
21728812
21728816
21728816
21728893
21728893

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Popular Name: (4S)-4-(4-ethoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-one (4S)-4-(4-ethoxyphenyl)-1,3-diph…

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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) 4.69 12.76 -13.4 1 5 0 56 409.489 5 ↓

Analogs

21728784
21728784
21728788
21728788
21728812
21728812
21728816
21728816
21728893
21728893

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(4-ethoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-one (4R)-4-(4-ethoxyphenyl)-1,3-diph…

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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) 4.69 12.31 -10.75 1 5 0 56 409.489 5 ↓

Analogs

21728744
21728744
21728748
21728748
21728860
21728860
21728864
21728864

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Popular Name: (4R)-4-(2,4-dimethoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-one (4R)-4-(2,4-dimethoxyphenyl)-1,3…

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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) 4.30 11.22 -12.18 1 6 0 65 425.488 5 ↓

Analogs

21728744
21728744
21728748
21728748
21728860
21728860
21728864
21728864

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(2,4-dimethoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-one (4S)-4-(2,4-dimethoxyphenyl)-1,3…

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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) 4.30 10.81 -10.12 1 6 0 65 425.488 5 ↓

Analogs

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Popular Name: (4R)-3-(4-chlorophenyl)-1-phenyl-4-(2-thienyl)-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-one (4R)-3-(4-chlorophenyl)-1-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) 4.84 12.31 -11.17 1 4 0 47 405.91 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-3-(4-chlorophenyl)-1-phenyl-4-(2-thienyl)-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-one (4S)-3-(4-chlorophenyl)-1-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) 4.84 11.97 -8.57 1 4 0 47 405.91 3 ↓

Analogs

21728752
21728752
21728764
21728764
21728767
21728767
21728867
21728867
21728869
21728869

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2,5-dimethoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-one (4R)-4-(2,5-dimethoxyphenyl)-1,3…

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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) 4.30 11.21 -13.94 1 6 0 65 425.488 5 ↓

Analogs

21728752
21728752
21728764
21728764
21728767
21728767
21728867
21728867
21728869
21728869

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(2,5-dimethoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-one (4S)-4-(2,5-dimethoxyphenyl)-1,3…

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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) 4.30 10.82 -11.57 1 6 0 65 425.488 5 ↓

Analogs

21728900
21728900
21728904
21728904

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1,3-diphenyl-4-(2-thienyl)-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-one (4S)-1,3-diphenyl-4-(2-thienyl)-…

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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) 4.16 11.43 -9.54 1 4 0 47 371.465 3 ↓

Analogs

21728900
21728900
21728904
21728904

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1,3-diphenyl-4-(2-thienyl)-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-one (4R)-1,3-diphenyl-4-(2-thienyl)-…

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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) 4.16 11.78 -11.86 1 4 0 47 371.465 3 ↓

Analogs

21728778
21728778
21728782
21728782
21728872
21728872
21728875
21728875
21728877
21728877

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(3,4-dimethoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-one (4S)-4-(3,4-dimethoxyphenyl)-1,3…

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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) 3.91 11.73 -14.99 1 6 0 65 425.488 5 ↓

Analogs

21728778
21728778
21728782
21728782
21728805
21728805
21728809
21728809
21728872
21728872

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(3,4-dimethoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-one (4R)-4-(3,4-dimethoxyphenyl)-1,3…

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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) 3.91 11.3 -11.59 1 6 0 65 425.488 5 ↓

Analogs

21728798
21728798
21728802
21728802
21728907
21728907

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-(4-chlorophenyl)-1-phenyl-4-(3-thienyl)-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-one (4R)-3-(4-chlorophenyl)-1-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) 4.53 12.04 -10.5 1 4 0 47 405.91 3 ↓

Analogs

21728798
21728798
21728802
21728802
21728907
21728907

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-3-(4-chlorophenyl)-1-phenyl-4-(3-thienyl)-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-one (4S)-3-(4-chlorophenyl)-1-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) 4.53 11.63 -8.37 1 4 0 47 405.91 3 ↓

Analogs

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Popular Name: 3-[2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]vinyl]-N,N-dimethyl-indole-1-sulfonamide 3-[2-[5-(2-hydroxyphenyl)-1,2,4-…

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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) 3.25 -4.77 -15.28 1 8 0 101 410.455 5 ↓

Analogs

21728770
21728770
21728774
21728774
21728778
21728778
21728782
21728782
21728784
21728784

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Popular Name: (4S)-3-(4-chlorophenyl)-4-(4-hydroxy-3-methoxy-phenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[4,5-e]pyridi (4S)-3-(4-chlorophenyl)-4-(4-hyd…

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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 10.18 -14.26 2 6 0 76 445.906 4 ↓

Analogs

21728752
21728752
21728770
21728770
21728774
21728774
21728778
21728778
21728782
21728782

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-(4-chlorophenyl)-4-(4-hydroxy-3-methoxy-phenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[4,5-e]pyridi (4R)-3-(4-chlorophenyl)-4-(4-hyd…

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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 9.74 -11.07 2 6 0 76 445.906 4 ↓

Analogs

13518360
13518360

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1,3-diphenyl-4-(3-thienyl)-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-one (4S)-1,3-diphenyl-4-(3-thienyl)-…

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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 11.13 -9.17 1 4 0 47 371.465 3 ↓

Analogs

13518360
13518360

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1,3-diphenyl-4-(3-thienyl)-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-one (4R)-1,3-diphenyl-4-(3-thienyl)-…

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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 11.51 -11.32 1 4 0 47 371.465 3 ↓

Analogs

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Popular Name: [2-methoxy-4-[(E)-2-[(5Z)-5-(6-oxo-1-cyclohexa-2,4-dienylidene)-2H-1,2,4-oxadiazol-3-yl]vinyl]phenyl [2-methoxy-4-[(E)-2-[(5Z)-5-(6-o…

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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 7.06 -16.65 1 7 0 95 352.346 6 ↓

Analogs

21728805
21728805
21728809
21728809
21728914
21728914
21728918
21728918

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Popular Name: (4R)-4-(1,3-benzodioxol-5-yl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-one (4R)-4-(1,3-benzodioxol-5-yl)-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) 4.15 10.75 -10.76 1 6 0 65 409.445 3 ↓

Analogs

21728805
21728805
21728809
21728809
21728914
21728914
21728918
21728918

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(1,3-benzodioxol-5-yl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-one (4S)-4-(1,3-benzodioxol-5-yl)-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) 4.15 11.19 -13.59 1 6 0 65 409.445 3 ↓

Analogs

21728778
21728778
21728782
21728782
21728881
21728881
21728884
21728884

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(3-methoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-one (4S)-4-(3-methoxyphenyl)-1,3-dip…

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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) 4.29 11.82 -11.87 1 5 0 56 395.462 4 ↓

Analogs

21728778
21728778
21728782
21728782
21728881
21728881
21728884
21728884

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(3-methoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-one (4R)-4-(3-methoxyphenyl)-1,3-dip…

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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) 4.29 11.39 -9.35 1 5 0 56 395.462 4 ↓

Analogs

13518348
13518348

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Popular Name: (4R)-3-phenyl-1-(p-tolyl)-4-(2-thienyl)-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-one (4R)-3-phenyl-1-(p-tolyl)-4-(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) 4.61 12.46 -11.61 1 4 0 47 385.492 3 ↓

Analogs

13518348
13518348

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Popular Name: (4S)-3-phenyl-1-(p-tolyl)-4-(2-thienyl)-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-one (4S)-3-phenyl-1-(p-tolyl)-4-(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) 4.61 12.13 -9.2 1 4 0 47 385.492 3 ↓

Analogs

21728744
21728744
21728748
21728748
21728849
21728849
21728850
21728850

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2-ethoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-one (4R)-4-(2-ethoxyphenyl)-1,3-diph…

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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) 4.64 12.76 -11.04 1 5 0 56 409.489 5 ↓

Analogs

21728744
21728744
21728748
21728748
21728849
21728849
21728850
21728850

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(2-ethoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-one (4S)-4-(2-ethoxyphenyl)-1,3-diph…

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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) 4.64 12.46 -9.49 1 5 0 56 409.489 5 ↓

Analogs

21728784
21728784
21728788
21728788
21728791
21728791
21728794
21728794
21728890
21728890

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-methoxyphenyl)-1,3-diphenyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one 4-(4-methoxyphenyl)-1,3-diphenyl…

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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) 4.32 11.83 -13.57 1 5 0 56 395.462 4 ↓

Analogs

21728726
21728726
21728784
21728784
21728788
21728788
21728791
21728791
21728794
21728794

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-methoxyphenyl)-1,3-diphenyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one 4-(4-methoxyphenyl)-1,3-diphenyl…

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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) 4.32 11.39 -10.88 1 5 0 56 395.462 4 ↓

Analogs

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Popular Name: (4R)-3-phenyl-1-(p-tolyl)-4-(3-thienyl)-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-one (4R)-3-phenyl-1-(p-tolyl)-4-(3-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 12.2 -11.04 1 4 0 47 385.492 3 ↓

Analogs

13518360
13518360

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-3-phenyl-1-(p-tolyl)-4-(3-thienyl)-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-one (4S)-3-phenyl-1-(p-tolyl)-4-(3-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 11.8 -8.98 1 4 0 47 385.492 3 ↓

Analogs

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Popular Name: 3-(2-hydroxy-4-methyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-2,4,6,8-tetraen-3-yl)-N-(3-phenylpropyl)prop 3-(2-hydroxy-4-methyl-1,5,7,9-te…

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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) 2.24 -2.72 -17.01 2 7 0 92 339.399 7 ↓

Analogs

13718499
13718499

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Popular Name: N-(3-ethylphenyl)-3-(5-hydroxy-3-methyl-2,6,7,9-tetrazabicyclo[4.3.0]nona-2,4,7,9-tetraen-4-yl)-prop N-(3-ethylphenyl)-3-(5-hydroxy-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) 2.51 8.42 -49.92 1 7 -1 95 324.364 5 ↓

Analogs

13735051
13735051

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Popular Name: 3-(2-hydroxy-4-methyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-2,4,6,8-tetraen-3-yl)-N-(4-methoxyphenyl)-pr 3-(2-hydroxy-4-methyl-1,5,7,9-te…

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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) 1.67 -2.17 -18.88 2 8 0 101 327.344 5 ↓

Analogs

39911622
39911622
39911623
39911623
39912116
39912116
39912117
39912117
39912298
39912298

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Popular Name: (4R)-5-(2-hydroxyethyl)-3-(2-hydroxy-5-methyl-phenyl)-4-(4-methoxyphenyl)-1,4-dihydropyrrolo[4,3-d]p (4R)-5-(2-hydroxyethyl)-3-(2-hyd…

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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) 2.59 3.44 -13.14 3 7 0 99 379.416 5 ↓
Hi High (pH 8-9.5) 2.59 4.26 -47.81 2 7 -1 102 378.408 5 ↓

Analogs

39911622
39911622
39911623
39911623
39912116
39912116
39912117
39912117
39912298
39912298

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-5-(2-hydroxyethyl)-3-(2-hydroxy-5-methyl-phenyl)-4-(4-methoxyphenyl)-1,4-dihydropyrrolo[4,3-d]p (4S)-5-(2-hydroxyethyl)-3-(2-hyd…

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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) 2.59 3.46 -12.61 3 7 0 99 379.416 5 ↓
Hi High (pH 8-9.5) 2.59 4.14 -43.88 2 7 -1 102 378.408 5 ↓

Analogs

16448749
16448749
16448751
16448751
16474361
16474361
16474364
16474364
21782755
21782755

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Popular Name: (4R)-4-(3-ethoxyphenyl)-3-(2-hydroxy-5-methyl-phenyl)-5-propyl-1,4-dihydropyrrolo[4,3-d]pyrazol-6-on (4R)-4-(3-ethoxyphenyl)-3-(2-hyd…

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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) 4.46 8.33 -10.9 2 6 0 78 391.471 6 ↓
Hi High (pH 8-9.5) 4.46 9.17 -48.57 1 6 -1 81 390.463 6 ↓

Analogs

12063468
12063468
16448749
16448749
16448751
16448751
16474361
16474361
16474364
16474364

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(3-ethoxyphenyl)-3-(2-hydroxy-5-methyl-phenyl)-5-propyl-1,4-dihydropyrrolo[4,3-d]pyrazol-6-on (4S)-4-(3-ethoxyphenyl)-3-(2-hyd…

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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) 4.46 7.99 -11.02 2 6 0 78 391.471 6 ↓
Hi High (pH 8-9.5) 4.46 8.83 -40.76 1 6 -1 81 390.463 6 ↓

Analogs

36490119
36490119
38609823
38609823
38609824
38609824
39912062
39912062
39912063
39912063

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Popular Name: (4R)-5-allyl-4-(4-ethoxyphenyl)-3-(2-hydroxy-5-methyl-phenyl)-1,4-dihydropyrrolo[4,3-d]pyrazol-6-one (4R)-5-allyl-4-(4-ethoxyphenyl)-…

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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) 4.25 7.79 -13.19 2 6 0 78 389.455 6 ↓
Hi High (pH 8-9.5) 4.25 8.61 -43.73 1 6 -1 81 388.447 6 ↓

Analogs

36490119
36490119
38609823
38609823
38609824
38609824
39912062
39912062
39912063
39912063

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-5-allyl-4-(4-ethoxyphenyl)-3-(2-hydroxy-5-methyl-phenyl)-1,4-dihydropyrrolo[4,3-d]pyrazol-6-one (4S)-5-allyl-4-(4-ethoxyphenyl)-…

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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) 4.25 8.16 -13 2 6 0 78 389.455 6 ↓
Hi High (pH 8-9.5) 4.25 9.09 -39.47 1 6 -1 81 388.447 6 ↓

Analogs

39911524
39911524
39911525
39911525
39911532
39911532
39911533
39911533
39911592
39911592

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Popular Name: (4R)-4-(4-ethoxy-3-methoxy-phenyl)-5-(2-hydroxyethyl)-3-(2-hydroxy-5-methyl-phenyl)-1,4-dihydropyrro (4R)-4-(4-ethoxy-3-methoxy-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) 2.56 4.08 -17.38 3 8 0 108 423.469 7 ↓
Hi High (pH 8-9.5) 2.56 4.86 -49.17 2 8 -1 111 422.461 7 ↓

Analogs

39911524
39911524
39911525
39911525
39911532
39911532
39911533
39911533
39911592
39911592

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(4-ethoxy-3-methoxy-phenyl)-5-(2-hydroxyethyl)-3-(2-hydroxy-5-methyl-phenyl)-1,4-dihydropyrro (4S)-4-(4-ethoxy-3-methoxy-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) 2.56 4.17 -17.81 3 8 0 108 423.469 7 ↓
Hi High (pH 8-9.5) 2.56 5.12 -45.97 2 8 -1 111 422.461 7 ↓

Analogs

20718207
20718207

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Popular Name: (4S)-1-(4,6-dimethylpyrimidin-2-yl)-4-[4-[(2-fluorophenyl)methoxy]phenyl]-3-methyl-5,7-dihydro-4H-py (4S)-1-(4,6-dimethylpyrimidin-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) 4.06 14.45 -20.26 1 7 0 82 457.509 5 ↓

Analogs

20718207
20718207

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Popular Name: (4R)-1-(4,6-dimethylpyrimidin-2-yl)-4-[4-[(2-fluorophenyl)methoxy]phenyl]-3-methyl-5,7-dihydro-4H-py (4R)-1-(4,6-dimethylpyrimidin-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) 4.06 14.29 -15.81 1 7 0 82 457.509 5 ↓

Analogs

20727324
20727324

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Popular Name: (4S)-1-(4,6-dimethylpyrimidin-2-yl)-4-(3-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridi (4S)-1-(4,6-dimethylpyrimidin-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) 2.43 11.04 -16.13 1 6 0 73 351.385 2 ↓

Analogs

20727324
20727324

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-(4,6-dimethylpyrimidin-2-yl)-4-(3-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridi (4R)-1-(4,6-dimethylpyrimidin-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) 2.43 10.85 -13.8 1 6 0 73 351.385 2 ↓

Analogs

21661171
21661171

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-(3-methyl-2-thienyl)-5,7-dihydro-4H-pyrazolo[3,4-b]py (4R)-1-(4,6-dimethylpyrimidin-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) 2.56 10.79 -17.86 1 6 0 73 353.451 2 ↓

Analogs

20744911
20744911

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-(3-methyl-2-thienyl)-5,7-dihydro-4H-pyrazolo[3,4-b]py (4S)-1-(4,6-dimethylpyrimidin-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) 2.56 10.57 -13.55 1 6 0 73 353.451 2 ↓

Analogs

8654626
8654626
21660743
21660743
21660745
21660745
21660823
21660823
21660825
21660825

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(5-bromo-2-methoxy-phenyl)-9-(4,6-dimethylpyrimidin-2-yl)-7-methyl-2,8,9-triazabicyclo[4.3.0]nona- 5-(5-bromo-2-methoxy-phenyl)-9-(…

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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) 3.08 11 -16.74 1 7 0 82 442.317 3 ↓

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