UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-3-methyl-N-[(1S)-1-phenylpropyl]pyrazolo[4,3-d]pyrimidin-7-amine 1-ethyl-3-methyl-N-[(1S)-1-pheny…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.12 9.19 -7.88 1 5 0 56 295.39 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-3-methyl-N-[(1R)-1-phenylpropyl]pyrazolo[4,3-d]pyrimidin-7-amine 1-ethyl-3-methyl-N-[(1R)-1-pheny…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.12 9.18 -7.92 1 5 0 56 295.39 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-N-[(1S)-1-(4-isopropylphenyl)ethyl]-3-methyl-pyrazolo[4,3-d]pyrimidin-7-amine 1-ethyl-N-[(1S)-1-(4-isopropylph…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.13 10.44 -7.69 1 5 0 56 323.444 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-N-[(1R)-1-(4-isopropylphenyl)ethyl]-3-methyl-pyrazolo[4,3-d]pyrimidin-7-amine 1-ethyl-N-[(1R)-1-(4-isopropylph…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.13 10.48 -7.8 1 5 0 56 323.444 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-ethyl-3-methyl-pyrazolo[4,3-d]pyrimidin-7-amine N-[(1S)-1-(2,4-dimethylphenyl)et…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.45 9.81 -8.2 1 5 0 56 309.417 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1-ethyl-3-methyl-pyrazolo[4,3-d]pyrimidin-7-amine N-[(1R)-1-(2,4-dimethylphenyl)et…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.45 9.7 -8.18 1 5 0 56 309.417 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[7-(benzylamino)-3-isopropyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]butan-1-ol (2R)-2-[[7-(benzylamino)-3-isopr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CCNH-1-E Cyclin H (cluster #1 Of 1), Eukaryotic Eukaryotes 160 0.37 Binding ≤ 10μM
CCNT1-1-E Cyclin T1 (cluster #1 Of 1), Eukaryotic Eukaryotes 1000 0.32 Binding ≤ 10μM
CDK7-1-E Cyclin-dependent Kinase 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 160 0.37 Binding ≤ 10μM
CDK9-1-E Cyclin-dependent Kinase 9 (cluster #1 Of 2), Eukaryotic Eukaryotes 1000 0.32 Binding ≤ 10μM
MAT1-1-E CDK-activating Kinase Assembly Factor MAT1 (cluster #1 Of 1), Eukaryotic Eukaryotes 160 0.37 Binding ≤ 10μM
Z104294-1-O Cyclin-dependent Kinase 5/CDK5 Activator 1 (cluster #1 Of 2), Other Other 200 0.36 Binding ≤ 10μM
Z104299-1-O Cyclin-dependent Kinase 2/cyclin E1 (cluster #1 Of 1), Other Other 40 0.40 Binding ≤ 10μM
Z103205-1-O A431 (cluster #1 Of 4), Other Other 7700 0.28 Functional ≤ 10μM
Z80156-9-O HL-60 (Promyeloblast Leukemia Cells) (cluster #9 Of 12), Other Other 7100 0.28 Functional ≤ 10μM
Z80166-12-O HT-29 (Colon Adenocarcinoma Cells) (cluster #12 Of 12), Other Other 6600 0.28 Functional ≤ 10μM
Z80186-1-O K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other Other 7700 0.28 Functional ≤ 10μM
Z80224-1-O MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other Other 7500 0.28 Functional ≤ 10μM
Z80682-11-O A549 (Lung Carcinoma Cells) (cluster #11 Of 11), Other Other 7100 0.28 Functional ≤ 10μM
Z80874-1-O CEM (T-cell Leukemia) (cluster #1 Of 7), Other Other 3800 0.29 Functional ≤ 10μM
Z80980-2-O HOS (Osteosarcoma Cells) (cluster #2 Of 2), Other Other 7500 0.28 Functional ≤ 10μM
Z81247-1-O HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other Other 6900 0.28 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MAT1_HUMAN P51948 CDK-activating Kinase Assembly Factor MAT1, Human 160 0.37 Binding ≤ 1μM
CCNH_HUMAN P51946 Cyclin H, Human 160 0.37 Binding ≤ 1μM
CCNT1_HUMAN O60563 Cyclin T1, Human 1000 0.32 Binding ≤ 1μM
Z104299 Z104299 Cyclin-dependent Kinase 2/cyclin E1 40 0.40 Binding ≤ 1μM
Z104294 Z104294 Cyclin-dependent Kinase 5/CDK5 Activator 1 200 0.36 Binding ≤ 1μM
CDK7_HUMAN P50613 Cyclin-dependent Kinase 7, Human 160 0.37 Binding ≤ 1μM
CDK9_HUMAN P50750 Cyclin-dependent Kinase 9, Human 1000 0.32 Binding ≤ 1μM
MAT1_HUMAN P51948 CDK-activating Kinase Assembly Factor MAT1, Human 160 0.37 Binding ≤ 10μM
CCNH_HUMAN P51946 Cyclin H, Human 160 0.37 Binding ≤ 10μM
CCNT1_HUMAN O60563 Cyclin T1, Human 1000 0.32 Binding ≤ 10μM
Z104299 Z104299 Cyclin-dependent Kinase 2/cyclin E1 40 0.40 Binding ≤ 10μM
Z104294 Z104294 Cyclin-dependent Kinase 5/CDK5 Activator 1 200 0.36 Binding ≤ 10μM
CDK7_HUMAN P50613 Cyclin-dependent Kinase 7, Human 160 0.37 Binding ≤ 10μM
CDK9_HUMAN P50750 Cyclin-dependent Kinase 9, Human 1000 0.32 Binding ≤ 10μM
Z103205 Z103205 A431 7700 0.28 Functional ≤ 10μM
Z80682 Z80682 A549 (Lung Carcinoma Cells) 7100 0.28 Functional ≤ 10μM
Z80874 Z80874 CEM (T-cell Leukemia) 3800 0.29 Functional ≤ 10μM
Z81247 Z81247 HeLa (Cervical Adenocarcinoma Cells) 6900 0.28 Functional ≤ 10μM
Z80156 Z80156 HL-60 (Promyeloblast Leukemia Cells) 7100 0.28 Functional ≤ 10μM
Z80980 Z80980 HOS (Osteosarcoma Cells) 7500 0.28 Functional ≤ 10μM
Z80166 Z80166 HT-29 (Colon Adenocarcinoma Cells) 6600 0.28 Functional ≤ 10μM
Z80186 Z80186 K562 (Erythroleukemia Cells) 7700 0.28 Functional ≤ 10μM
Z80224 Z80224 MCF7 (Breast Carcinoma Cells) 7500 0.28 Functional ≤ 10μM

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) 3.51 6.5 -8.1 4 7 0 99 354.458 8 ↓
Lo Low (pH 4.5-6) 3.51 7.22 -24.25 5 7 1 100 355.466 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-chlorophenyl)methyl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine N-[(2-chlorophenyl)methyl]-3-met…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 5.81 -7.33 2 5 0 66 273.727 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-(p-tolylmethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine 3-methyl-N-(p-tolylmethyl)-1H-py…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.07 6.07 -6.67 2 5 0 66 253.309 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-fluorophenyl)methyl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine N-[(4-fluorophenyl)methyl]-3-met…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.78 5.47 -7.71 2 5 0 66 257.272 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-methoxyphenyl)methyl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine N-[(4-methoxyphenyl)methyl]-3-me…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.68 4.7 -8.11 2 6 0 76 269.308 4 ↓

Analogs

41528043
41528043

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-Pyrazolo[4,3-d]pyrimidin-7-amine, 3-methyl-N-(1-phenylethyl)- 1H-Pyrazolo[4,3-d]pyrimidin-7-am…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.18 6.24 -7.01 2 5 0 66 253.309 3 ↓

Analogs

41528040
41528040

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-Pyrazolo[4,3-d]pyrimidin-7-amine, 3-methyl-N-(1-phenylethyl)- 1H-Pyrazolo[4,3-d]pyrimidin-7-am…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.18 6.24 -7.01 2 5 0 66 253.309 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-Pyrazolo[4,3-d]pyrimidin-7-amine, N,3-dimethyl-N-(phenylmethyl)- 1H-Pyrazolo[4,3-d]pyrimidin-7-am…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.87 7.45 -8.5 1 5 0 58 253.309 3 ↓

Analogs

41528055
41528055

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-Pyrazolo[4,3-d]pyrimidin-7-amine, N-ethyl-3-methyl-N-(phenylmethyl)- 1H-Pyrazolo[4,3-d]pyrimidin-7-am…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 8.48 -7.96 1 5 0 58 267.336 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-methoxyphenyl)methyl]-N,3-dimethyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine N-[(4-methoxyphenyl)methyl]-N,3-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.92 6.75 -10.47 1 6 0 67 283.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-fluorophenyl)methyl]-N,3-dimethyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine N-[(4-fluorophenyl)methyl]-N,3-d…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 7.52 -9.83 1 5 0 58 271.299 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine N-[(3,4-dimethoxyphenyl)methyl]-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.51 6.66 -12.43 1 7 0 76 313.361 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-chlorophenyl)methyl]-N,3-dimethyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine N-[(4-chlorophenyl)methyl]-N,3-d…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 7.97 -9.08 1 5 0 58 287.754 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-fluorophenyl)methyl]-N,3-dimethyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine N-[(2-fluorophenyl)methyl]-N,3-d…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 7.28 -7.22 1 5 0 58 271.299 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-fluorophenyl)methyl]-N,3-dimethyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine N-[(3-fluorophenyl)methyl]-N,3-d…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.01 7.52 -8.59 1 5 0 58 271.299 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-(o-tolylmethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine 3-methyl-N-(o-tolylmethyl)-1H-py…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.02 6.12 -6.56 2 5 0 66 253.309 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-(m-tolylmethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine 3-methyl-N-(m-tolylmethyl)-1H-py…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.05 6.06 -6.7 2 5 0 66 253.309 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-chlorophenyl)methyl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine N-[(4-chlorophenyl)methyl]-3-met…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 5.92 -7.11 2 5 0 66 273.727 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-chlorophenyl)methyl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine N-[(3-chlorophenyl)methyl]-3-met…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.27 5.91 -7.22 2 5 0 66 273.727 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-fluorophenyl)methyl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine N-[(2-fluorophenyl)methyl]-3-met…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.74 5.43 -8.08 2 5 0 66 257.272 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-fluorophenyl)methyl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine N-[(3-fluorophenyl)methyl]-3-met…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.76 5.47 -7.82 2 5 0 66 257.272 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-methoxyphenyl)methyl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine N-[(2-methoxyphenyl)methyl]-3-me…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 4.74 -7.98 2 6 0 76 269.308 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-methoxyphenyl)methyl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine N-[(3-methoxyphenyl)methyl]-3-me…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.65 4.7 -8.22 2 6 0 76 269.308 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine N-[(3,4-dimethoxyphenyl)methyl]-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.27 4.59 -10.45 2 7 0 85 299.334 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-ethoxyphenyl)methyl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine N-[(4-ethoxyphenyl)methyl]-3-met…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.05 5.62 -7.95 2 6 0 76 283.335 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Ethanol, 2-[(3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)(phenylmethyl)amino]- Ethanol, 2-[(3-methyl-1H-pyrazol…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.23 5.17 -8.69 2 6 0 78 283.335 5 ↓

Parameters Provided:

ring.id = 170958
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 = 170958 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=170958&filter.purchasability=annotated

Embed Link to Results