UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4167789
4167789
6382133
6382133

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Popular Name: 6-amino-4-(2,4-diethoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile 6-amino-4-(2,4-diethoxyphenyl)-3…

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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) 2.24 2.11 -10.1 3 7 0 106 340.383 5 ↓
Ref Reference (pH 7) 2.24 2.83 -9.26 3 7 0 106 340.383 5 ↓

Analogs

6382133
6382133
4167788
4167788

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Popular Name: 6-amino-4-(2,4-diethoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile 6-amino-4-(2,4-diethoxyphenyl)-3…

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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) 2.24 2.2 -10.06 3 7 0 106 340.383 5 ↓
Ref Reference (pH 7) 2.24 2.9 -9.24 3 7 0 106 340.383 5 ↓

Analogs

4168087
4168087

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Popular Name: 6-amino-4-(4-isopropoxyphenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile 6-amino-4-(4-isopropoxyphenyl)-3…

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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) 2.21 1.65 -9.67 3 7 0 106 340.383 5 ↓
Lo Low (pH 4.5-6) 2.21 2.51 -57.79 4 7 1 108 341.391 5 ↓

Analogs

4168086
4168086

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Popular Name: 6-amino-4-(4-isopropoxyphenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile 6-amino-4-(4-isopropoxyphenyl)-3…

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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) 2.21 1.65 -9.74 3 7 0 106 340.383 5 ↓
Lo Low (pH 4.5-6) 2.21 2.51 -56.96 4 7 1 108 341.391 5 ↓

Analogs

4168441
4168441
5053251
5053251
5053253
5053253
5633480
5633480
5633514
5633514

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Popular Name: 6-amino-3-ethyl-4-[3,4,5-tris(methyloxy)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile 6-amino-3-ethyl-4-[3,4,5-tris(me…

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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) 1.65 1.42 -13.11 3 8 0 115 356.382 5 ↓
Ref Reference (pH 7) 1.65 2.05 -12.51 3 8 0 115 356.382 5 ↓

Analogs

5053251
5053251
5053253
5053253
5633480
5633480
5633514
5633514
4168439
4168439

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Popular Name: 6-amino-3-ethyl-4-[3,4,5-tris(methyloxy)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile 6-amino-3-ethyl-4-[3,4,5-tris(me…

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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) 1.65 1.26 -13.73 3 8 0 115 356.382 5 ↓
Ref Reference (pH 7) 1.65 2.15 -12.78 3 8 0 115 356.382 5 ↓

Analogs

4169949
4169949
6420118
6420118
6420119
6420119

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Popular Name: 4-amino-2-[2-(difluoromethoxy)phenyl]-9-propyl-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,8,10-triene-3-car 4-amino-2-[2-(difluoromethoxy)ph…

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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) 3.08 3.29 -9.54 3 6 0 97 346.337 5 ↓
Ref Reference (pH 7) 3.08 2.74 -10.26 3 6 0 97 346.337 5 ↓

Analogs

6420118
6420118
6420119
6420119
4169948
4169948

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Popular Name: 4-amino-2-[2-(difluoromethoxy)phenyl]-9-propyl-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,8,10-triene-3-car 4-amino-2-[2-(difluoromethoxy)ph…

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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) 3.08 3.46 -9.77 3 6 0 97 346.337 5 ↓
Ref Reference (pH 7) 3.08 2.5 -10.31 3 6 0 97 346.337 5 ↓

Analogs

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Popular Name: (4S)-6-amino-4-(2,6-difluorophenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitril (4S)-6-amino-4-(2,6-difluorophen…

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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) 1.65 0.59 -9.24 3 6 0 97 318.283 3 ↓

Analogs

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Popular Name: (4R)-6-amino-4-(2,6-difluorophenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitril (4R)-6-amino-4-(2,6-difluorophen…

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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) 1.65 0.6 -9.2 3 6 0 97 318.283 3 ↓

Parameters Provided:

ring.id = 246358
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 = 246358 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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