UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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

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

13010890
13010890

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Popular Name: N'-(4-chloro-2-methyl-phenyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pteridine-2,4-diamine N'-(4-chloro-2-methyl-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) 4.27 9.04 -11.82 2 7 0 85 370.844 5 ↓

Analogs

13010888
13010888

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Popular Name: N'-(4-chloro-2-methyl-phenyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pteridine-2,4-diamine N'-(4-chloro-2-methyl-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) 4.27 9.1 -11.94 2 7 0 85 370.844 5 ↓

Analogs

13010938
13010938

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Popular Name: N'-(3-chloro-4-methyl-phenyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pteridine-2,4-diamine N'-(3-chloro-4-methyl-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) 4.27 8.76 -11.59 2 7 0 85 370.844 5 ↓

Analogs

13010935
13010935

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Popular Name: N'-(3-chloro-4-methyl-phenyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pteridine-2,4-diamine N'-(3-chloro-4-methyl-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) 4.27 8.78 -11.83 2 7 0 85 370.844 5 ↓

Parameters Provided:

ring.id = 111098
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 = 111098 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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