UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34588196
34588196
39239610
39239610
5783278
5783278

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Popular Name: 2-AMINO-6,7-DIMETHYL-4-HYDROXYPTERIDINE 2-AMINO-6,7-DIMETHYL-4-HYDROXYPT…

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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) -0.18 1.14 -20.64 3 6 0 98 191.194 0 ↓

Analogs

33846339
33846339
14420733
14420733

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Popular Name: Primapterin Primapterin

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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) -1.46 -3.86 -15.72 5 8 0 138 237.219 2 ↓
Hi High (pH 8-9.5) -1.01 -6.01 -49.4 4 8 -1 141 236.211 2 ↓

Analogs

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Popular Name: 2-[3-(3-isopropoxypropyl)-4-oxo-pteridin-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide 2-[3-(3-isopropoxypropyl)-4-oxo-…

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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 8.73 -17.35 1 8 0 99 481.5 10 ↓

Analogs

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Popular Name: 2-(3-isopentyl-4-oxo-pteridin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide 2-(3-isopentyl-4-oxo-pteridin-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) 4.81 9.25 -15.59 1 7 0 90 451.474 8 ↓

Analogs

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Popular Name: 2-amino-N-(2-furylmethyl)-4-oxo-3H-pteridine-7-carboxamide 2-amino-N-(2-furylmethyl)-4-oxo-…

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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) -0.53 0.33 -15.4 4 9 0 140 286.251 3 ↓
Mid Mid (pH 6-8) -0.08 -1.73 -43.99 3 9 -1 143 285.243 3 ↓

Analogs

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Popular Name: 2-amino-6-[(2S)-2-hydroxypropanoyl]-3H-pteridin-4-one 2-amino-6-[(2S)-2-hydroxypropano…

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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) -1.13 -0.64 -15.72 4 8 0 135 235.203 2 ↓
Mid Mid (pH 6-8) -0.67 -2.74 -40.26 3 8 -1 138 234.195 2 ↓

Analogs

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Popular Name: (2S)-2-[[4-[(2-amino-4-oxo-8H-pteridin-6-yl)methylamino]-3,5-dibromo-benzoyl]amino]pentanedioic (2S)-2-[[4-[(2-amino-4-oxo-8H-pt…

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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) -0.90 5.38 -122.58 5 13 -2 219 597.18 9 ↓
Hi High (pH 8-9.5) -0.44 3.2 -169.86 4 13 -3 222 596.172 9 ↓
Lo Low (pH 4.5-6) -0.90 3.4 -66.84 6 13 -1 216 598.188 9 ↓

Analogs

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Popular Name: (2R)-2-[[4-[(2-amino-4-oxo-8H-pteridin-6-yl)methylamino]-3,5-dibromo-benzoyl]amino]pentanedioic (2R)-2-[[4-[(2-amino-4-oxo-8H-pt…

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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) -0.90 5.33 -122.97 5 13 -2 219 597.18 9 ↓
Hi High (pH 8-9.5) -0.44 3.27 -170.33 4 13 -3 222 596.172 9 ↓
Lo Low (pH 4.5-6) -0.90 3.36 -68.46 6 13 -1 216 598.188 9 ↓

Parameters Provided:

ring.id = 42228
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 = 42228 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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