UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-(4-phenylpiperazin-1-yl)-2-(1-piperidyl)pteridine 4-(4-phenylpiperazin-1-yl)-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) 3.81 8.72 -12.03 0 7 0 61 375.48 3 ↓

Analogs

13745181
13745181

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Popular Name: (2R,4S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]-4-fluoro-pentanedioic (2R,4S)-2-[[4-[(2,4-diaminopteri…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DYR-1-E Dihydrofolate Reductase (cluster #1 Of 3), Eukaryotic Eukaryotes 1 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DYR_HUMAN P00374 Dihydrofolate Reductase, Human 1.35 0.37 Binding ≤ 1μM
DYR_HUMAN P00374 Dihydrofolate Reductase, Human 1.35 0.37 Binding ≤ 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) -1.95 6.47 -122.82 5 13 -2 216 470.421 9 ↓
Lo Low (pH 4.5-6) -1.95 6.9 -121 6 13 -1 217 471.429 9 ↓

Analogs

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Popular Name: N-(4-fluorophenyl)-2-pyrrolidin-1-yl-pteridin-4-amine N-(4-fluorophenyl)-2-pyrrolidin-…

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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 8.02 -12.06 1 6 0 67 310.336 3 ↓

Analogs

13010634
13010634

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Popular Name: N-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)pteridin-4-amine N-(4-fluorophenyl)-2-(4-methylpi…

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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 8.86 -42.44 2 7 1 71 340.386 3 ↓

Analogs

13010632
13010632

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Popular Name: 2-(4-ethylpiperazin-1-yl)-N-(4-fluorophenyl)pteridin-4-amine 2-(4-ethylpiperazin-1-yl)-N-(4-f…

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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 9.45 -40.95 2 7 1 71 354.413 4 ↓

Analogs

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Popular Name: 2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)pteridin-4-amine 2-(4-benzylpiperazin-1-yl)-N-(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) 4.66 10.22 -13.47 1 7 0 70 415.476 5 ↓

Analogs

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Popular Name: 2-[4-[4-[(4-fluorophenyl)amino]pteridin-2-yl]piperazin-1-yl]ethanol 2-[4-[4-[(4-fluorophenyl)amino]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) 2.63 4.04 -15.37 2 8 0 90 369.404 5 ↓

Analogs

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Popular Name: ethyl 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) 3.71 8.66 -14.88 1 9 0 96 397.414 5 ↓

Analogs

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Popular Name: N-(4-fluorophenyl)-2-morpholino-pteridin-4-amine N-(4-fluorophenyl)-2-morpholino-…

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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) 3.21 6.56 -12.4 1 7 0 76 326.335 3 ↓

Analogs

13010652
13010652
13010654
13010654

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Popular Name: 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-fluorophenyl)pteridin-4-amine 2-[(2R,6R)-2,6-dimethylmorpholin…

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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 8.26 -11.81 1 7 0 76 354.389 3 ↓

Analogs

13010654
13010654
13010649
13010649

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Popular Name: 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-fluorophenyl)pteridin-4-amine 2-[(2S,6R)-2,6-dimethylmorpholin…

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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 9.83 -11.68 1 7 0 76 354.389 3 ↓

Analogs

13010649
13010649
13010652
13010652

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Popular Name: 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(4-fluorophenyl)pteridin-4-amine 2-[(2S,6S)-2,6-dimethylmorpholin…

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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 8.24 -11.84 1 7 0 76 354.389 3 ↓

Analogs

13010678
13010678
9075219
9075219

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Popular Name: N'-(4-fluorophenyl)-N-methyl-pteridine-2,4-diamine N'-(4-fluorophenyl)-N-methyl-pte…

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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) 3.01 6.63 -12.1 2 6 0 76 270.271 3 ↓

Analogs

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Popular Name: N'-(4-fluorophenyl)-N-(2-methoxyethyl)pteridine-2,4-diamine N'-(4-fluorophenyl)-N-(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) 2.99 6.54 -12.39 2 7 0 85 314.324 6 ↓

Analogs

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Popular Name: N'-(4-fluorophenyl)-N-(2-furylmethyl)pteridine-2,4-diamine N'-(4-fluorophenyl)-N-(2-furylme…

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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) 3.66 8.57 -12.38 2 7 0 89 336.33 5 ↓

Analogs

13010665
13010665

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Popular Name: N'-(4-fluorophenyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pteridine-2,4-diamine N'-(4-fluorophenyl)-N-[[(2S)-tet…

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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 7.7 -12.39 2 7 0 85 340.362 5 ↓

Analogs

13010663
13010663

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Popular Name: N'-(4-fluorophenyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pteridine-2,4-diamine N'-(4-fluorophenyl)-N-[[(2R)-tet…

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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 7.74 -12.45 2 7 0 85 340.362 5 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-fluorophenyl)pteridine-2,4-diamine N-(1,3-benzodioxol-5-ylmethyl)-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) 4.29 9.13 -13.88 2 8 0 94 390.378 5 ↓

Analogs

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Popular Name: N-(2-dimethylaminoethyl)-N'-(4-fluorophenyl)pteridine-2,4-diamine N-(2-dimethylaminoethyl)-N'-(4-f…

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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) 3.04 8.78 -42.92 3 7 1 80 328.375 6 ↓

Analogs

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Popular Name: N'-(4-fluorophenyl)-N-phenethyl-pteridine-2,4-diamine N'-(4-fluorophenyl)-N-phenethyl-…

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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) 4.81 11.24 -12.74 2 6 0 76 360.396 6 ↓

Analogs

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Popular Name: N'-(4-fluorophenyl)-N-(2-morpholinoethyl)pteridine-2,4-diamine N'-(4-fluorophenyl)-N-(2-morphol…

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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) 2.88 5.96 -14.49 2 8 0 88 369.404 6 ↓

Analogs

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Popular Name: N'-(4-fluorophenyl)-N,N-dimethyl-pteridine-2,4-diamine N'-(4-fluorophenyl)-N,N-dimethyl…

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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 8.7 -12.21 1 6 0 67 284.298 3 ↓

Analogs

13010657
13010657
9075219
9075219

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Popular Name: N,N'-bis(4-fluorophenyl)pteridine-2,4-diamine N,N'-bis(4-fluorophenyl)pteridin…

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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) 4.88 10.69 -12.03 2 6 0 76 350.332 4 ↓

Analogs

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Popular Name: N-(3-fluorophenyl)-N'-(4-fluorophenyl)pteridine-2,4-diamine N-(3-fluorophenyl)-N'-(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) 4.86 10.68 -11.55 2 6 0 76 350.332 4 ↓

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-N'-(4-fluorophenyl)pteridine-2,4-diamine N-(3-chloro-4-methoxy-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) 5.38 10.4 -12.51 2 7 0 85 396.813 5 ↓

Analogs

13010685
13010685

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Popular Name: N-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)pteridin-4-amine N-(4-chlorophenyl)-2-(4-methylpi…

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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 9.32 -41.93 2 7 1 71 356.841 3 ↓

Analogs

13010683
13010683

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Popular Name: N-(4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)pteridin-4-amine N-(4-chlorophenyl)-2-(4-ethylpip…

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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 9.91 -40.52 2 7 1 71 370.868 4 ↓

Analogs

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Popular Name: 2-(4-benzylpiperazin-1-yl)-N-(4-chlorophenyl)pteridin-4-amine 2-(4-benzylpiperazin-1-yl)-N-(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) 5.17 10.68 -12.95 1 7 0 70 431.931 5 ↓

Analogs

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Popular Name: 2-[4-[4-[(4-chlorophenyl)amino]pteridin-2-yl]piperazin-1-yl]ethanol 2-[4-[4-[(4-chlorophenyl)amino]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) 3.14 4.49 -14.85 2 8 0 90 385.859 5 ↓

Analogs

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Popular Name: ethyl 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) 4.22 9.11 -14.51 1 9 0 96 413.869 5 ↓

Analogs

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Popular Name: N-(4-chlorophenyl)-2-morpholino-pteridin-4-amine N-(4-chlorophenyl)-2-morpholino-…

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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 7.02 -11.96 1 7 0 76 342.79 3 ↓

Analogs

13010704
13010704
13010706
13010706

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Popular Name: N-(4-chlorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pteridin-4-amine N-(4-chlorophenyl)-2-[(2R,6R)-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) 4.45 8.71 -11.42 1 7 0 76 370.844 3 ↓

Analogs

13010706
13010706
13010701
13010701

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Popular Name: N-(4-chlorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pteridin-4-amine N-(4-chlorophenyl)-2-[(2S,6R)-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) 4.45 10.28 -11.3 1 7 0 76 370.844 3 ↓

Analogs

13010701
13010701
13010704
13010704

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Popular Name: N-(4-chlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pteridin-4-amine N-(4-chlorophenyl)-2-[(2S,6S)-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) 4.45 8.69 -11.41 1 7 0 76 370.844 3 ↓

Analogs

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Popular Name: N'-(4-chlorophenyl)-N-(2-methoxyethyl)pteridine-2,4-diamine N'-(4-chlorophenyl)-N-(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) 3.50 6.99 -11.95 2 7 0 85 330.779 6 ↓

Analogs

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Popular Name: N'-(4-chlorophenyl)-N-(2-furylmethyl)pteridine-2,4-diamine N'-(4-chlorophenyl)-N-(2-furylme…

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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) 4.18 9.02 -11.92 2 7 0 89 352.785 5 ↓

Analogs

13010713
13010713

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Popular Name: N'-(4-chlorophenyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pteridine-2,4-diamine N'-(4-chlorophenyl)-N-[[(2S)-tet…

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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) 3.89 8.15 -11.92 2 7 0 85 356.817 5 ↓

Analogs

13010711
13010711

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Popular Name: N'-(4-chlorophenyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pteridine-2,4-diamine N'-(4-chlorophenyl)-N-[[(2R)-tet…

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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) 3.89 8.2 -12.02 2 7 0 85 356.817 5 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-chlorophenyl)pteridine-2,4-diamine N-(1,3-benzodioxol-5-ylmethyl)-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) 4.81 9.58 -13.4 2 8 0 94 406.833 5 ↓

Analogs

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Popular Name: N'-(4-chlorophenyl)-N-(2-dimethylaminoethyl)pteridine-2,4-diamine N'-(4-chlorophenyl)-N-(2-dimethy…

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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) 3.55 9.23 -42.44 3 7 1 80 344.83 6 ↓

Analogs

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Popular Name: N'-(4-chlorophenyl)-N-phenethyl-pteridine-2,4-diamine N'-(4-chlorophenyl)-N-phenethyl-…

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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) 5.32 11.69 -12.28 2 6 0 76 376.851 6 ↓

Analogs

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Popular Name: N'-(4-chlorophenyl)-N-(2-morpholinoethyl)pteridine-2,4-diamine N'-(4-chlorophenyl)-N-(2-morphol…

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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) 3.40 6.41 -13.93 2 8 0 88 385.859 6 ↓

Analogs

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Popular Name: N'-(4-chlorophenyl)-N-(4-fluorophenyl)pteridine-2,4-diamine N'-(4-chlorophenyl)-N-(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) 5.40 11.13 -11.58 2 6 0 76 366.787 4 ↓

Analogs

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Popular Name: N'-(4-chlorophenyl)-N-(3-fluorophenyl)pteridine-2,4-diamine N'-(4-chlorophenyl)-N-(3-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) 5.37 11.13 -11.05 2 6 0 76 366.787 4 ↓

Analogs

9074150
9074150
9074152
9074152

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Popular Name: 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(p-tolyl)pteridin-4-amine 2-[(2R,6S)-2,6-dimethylmorpholin…

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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) 4.22 8.65 -12.28 1 7 0 76 350.426 3 ↓

Analogs

9074342
9074342
9074344
9074344

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Popular Name: 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(4-methoxyphenyl)pteridin-4-amine 2-[(2R,6S)-2,6-dimethylmorpholin…

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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) 3.83 7.3 -14.31 1 8 0 85 366.425 4 ↓

Analogs

9074540
9074540
9074542
9074542

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Popular Name: 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(3,4-dimethylphenyl)pteridin-4-amine 2-[(2R,6S)-2,6-dimethylmorpholin…

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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) 4.60 9.23 -12.26 1 7 0 76 364.453 3 ↓

Analogs

9074737
9074737
9074738
9074738

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Popular Name: 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(2,4-dimethylphenyl)pteridin-4-amine 2-[(2R,6S)-2,6-dimethylmorpholin…

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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) 4.60 9.55 -12.19 1 7 0 76 364.453 3 ↓

Analogs

9074932
9074932
9074933
9074933

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Popular Name: 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(2,5-dimethylphenyl)pteridin-4-amine 2-[(2R,6S)-2,6-dimethylmorpholin…

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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) 4.60 9.56 -12.27 1 7 0 76 364.453 3 ↓

Analogs

13010864
13010864

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Popular Name: N-(4-chloro-2-methyl-phenyl)-2-(4-methylpiperazin-1-yl)pteridin-4-amine N-(4-chloro-2-methyl-phenyl)-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) 4.15 10.23 -41.98 2 7 1 71 370.868 3 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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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 = 12241 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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