UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[4-[(4S)-6-amino-3-(4-chlorophenyl)-5-cyano-1,4-dihydropyrano[5,6-d]pyrazol-4-yl]-3-phenyl-pyrazol 2-[4-[(4S)-6-amino-3-(4-chloroph…

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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) 2.36 3.25 -23.04 5 9 0 149 471.908 5 ↓
Lo Low (pH 4.5-6) 2.36 3.58 -63.6 6 9 1 150 472.916 5 ↓

Analogs

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Popular Name: 2-[4-[(4R)-6-amino-3-(4-chlorophenyl)-5-cyano-1,4-dihydropyrano[5,6-d]pyrazol-4-yl]-3-phenyl-pyrazol 2-[4-[(4R)-6-amino-3-(4-chloroph…

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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) 2.36 3.56 -25.92 5 9 0 149 471.908 5 ↓
Lo Low (pH 4.5-6) 2.36 3.89 -70.83 6 9 1 150 472.916 5 ↓

Analogs

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Popular Name: 2-[4-[(4S)-6-amino-5-cyano-3-(4-isopropoxyphenyl)-1,4-dihydropyrano[5,6-d]pyrazol-4-yl]-3-phenyl-pyr 2-[4-[(4S)-6-amino-5-cyano-3-(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) 2.47 3.59 -24.03 5 10 0 158 495.543 7 ↓
Lo Low (pH 4.5-6) 2.47 3.92 -63.57 6 10 1 160 496.551 7 ↓

Analogs

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Popular Name: 2-[4-[(4R)-6-amino-5-cyano-3-(4-isopropoxyphenyl)-1,4-dihydropyrano[5,6-d]pyrazol-4-yl]-3-phenyl-pyr 2-[4-[(4R)-6-amino-5-cyano-3-(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) 2.47 3.88 -27.41 5 10 0 158 495.543 7 ↓
Lo Low (pH 4.5-6) 2.47 4.2 -71.78 6 10 1 160 496.551 7 ↓

Analogs

720614
720614

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Popular Name: 4-amino-9-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-5-oxa-7,8-diazabicyclo[4.3.0] 4-amino-9-(3,4-dimethoxyphenyl)-…

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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) 2.69 3.95 -13.36 4 9 0 135 458.453 5 ↓
Mid Mid (pH 6-8) 2.69 3.27 -11.18 4 9 0 135 458.453 5 ↓
Mid Mid (pH 6-8) 2.69 3.84 -11.74 4 9 0 135 458.453 5 ↓

Analogs

4168807
4168807

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Popular Name: 4-amino-2-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-9-(4-methoxyphenyl)-5-oxa-7,8-diazabicyclo[4.3.0]nona 4-amino-2-[3-(4-fluorophenyl)-1H…

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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) 3.10 4.04 -11.52 4 8 0 126 428.427 4 ↓
Mid Mid (pH 6-8) 3.10 3.07 -9.84 4 8 0 126 428.427 4 ↓
Mid Mid (pH 6-8) 3.10 4.01 -9.88 4 8 0 126 428.427 4 ↓

Analogs

4168802
4168802

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Popular Name: 4-amino-2-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-9-(4-methoxyphenyl)-5-oxa-7,8-diazabicyclo[4.3.0]nona 4-amino-2-[3-(4-fluorophenyl)-1H…

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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) 3.10 3.75 -11.51 4 8 0 126 428.427 4 ↓
Mid Mid (pH 6-8) 3.10 2.94 -10.63 4 8 0 126 428.427 4 ↓
Mid Mid (pH 6-8) 3.10 3.75 -10.56 4 8 0 126 428.427 4 ↓

Parameters Provided:

ring.id = 111626
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 = 111626 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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