UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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-(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,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

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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-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-chloro-2-methyl-phenyl)-N-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) 3.90 8 -11.55 2 6 0 76 300.753 3 ↓

Analogs

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Popular Name: N'-(4-chloro-2-methyl-phenyl)-N-(2-dimethylaminoethyl)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) 3.93 10.14 -42.49 3 7 1 80 358.857 6 ↓

Analogs

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Popular Name: N'-(3-chloro-4-methyl-phenyl)-N-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) 3.90 7.68 -11.49 2 6 0 76 300.753 3 ↓

Analogs

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Popular Name: N'-(3-chloro-4-methyl-phenyl)-N,N-dimethyl-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) 4.26 9.74 -11.69 1 6 0 67 314.78 3 ↓

Analogs

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Popular Name: N'-(4-chlorophenyl)-N-(3-dimethylaminopropyl)pteridine-2,4-diamine N'-(4-chlorophenyl)-N-(3-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) 3.82 10.01 -43.46 3 7 1 80 358.857 7 ↓

Parameters Provided:

ring.id = 111088
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 = 111088 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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