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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

15440409
15440409
15440410
15440410

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Popular Name: 8-Bromoguanosine 8-Bromoguanosine

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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) -1.89 -8.17 -19.89 5 10 0 153 362.14 2 ↓
Mid Mid (pH 6-8) -1.89 -8.15 -51.47 4 10 -1 151 361.132 2 ↓

Analogs

23192909
23192909

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Popular Name: 5-[(2,4-dimethylthiazol-5-yl)methyl]-3-ethyl-4H-pyrazolo[5,1-b]pyrimidin-7-one 5-[(2,4-dimethylthiazol-5-yl)met…

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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) 2.39 6.66 -20.67 1 5 0 63 288.376 3 ↓
Mid Mid (pH 6-8) 2.84 5.48 -47.47 0 5 -1 66 287.368 3 ↓

Analogs

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Popular Name: 2-Amino-4,6-dihydroxypyrimidine 2-Amino-4,6-dihydroxypyrimidine

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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) -1.62 -2.54 -34.28 2 5 -1 91 126.095 0 ↓
Lo Low (pH 4.5-6) -1.81 -1.37 -13.72 3 5 0 85 127.103 0 ↓

Analogs

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Popular Name: 5-Amino-2-methyl-4(1h)-pyrimidinone 5-Amino-2-methyl-4(1h)-pyrimidinone

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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) -1.48 -2.58 -13.43 2 4 0 68 125.131 0 ↓

Analogs

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Popular Name: 5-Amino-2-methyl-4(1h)-pyrimidinone 5-Amino-2-methyl-4(1h)-pyrimidinone

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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) -1.48 -2.56 -13.1 2 4 0 68 125.131 0 ↓

Analogs

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Popular Name: (5R)-2-chloro-5-fluoro-5H-pyrimidin-4-one (5R)-2-chloro-5-fluoro-5H-pyrimi…

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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) 0.16 0.42 -12.61 0 3 0 42 148.524 0 ↓

Analogs

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Popular Name: (5S)-2-chloro-5-fluoro-5H-pyrimidin-4-one (5S)-2-chloro-5-fluoro-5H-pyrimi…

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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) 0.16 0.42 -12.62 0 3 0 42 148.524 0 ↓

Analogs

39579441
39579441

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Popular Name: (5R)-2-amino-9-[(2S,4S,5S)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5H-purin-6-one (5R)-2-amino-9-[(2S,4S,5S)-4-hyd…

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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) -2.73 -5.26 -24.8 4 9 0 133 267.245 2 ↓
Hi High (pH 8-9.5) -2.73 -5.24 -61.32 3 9 -1 131 266.237 2 ↓
Mid Mid (pH 6-8) -2.73 -4.26 -53.32 5 9 1 135 268.253 2 ↓

Analogs

39579441
39579441

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-amino-9-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5H-purin-6-one (5R)-2-amino-9-[(2S,4R,5S)-4-hyd…

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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) -2.73 -5.4 -23.06 4 9 0 133 267.245 2 ↓
Mid Mid (pH 6-8) -2.73 -4.4 -52.99 5 9 1 135 268.253 2 ↓
Mid Mid (pH 6-8) -2.41 -6.61 -56.68 3 9 -1 137 266.237 2 ↓

Analogs

39579441
39579441

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-amino-9-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5H-purin-6-one (5R)-2-amino-9-[(2S,4S,5R)-4-hyd…

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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) -2.73 -5.31 -25.3 4 9 0 133 267.245 2 ↓
Mid Mid (pH 6-8) -2.73 -4.32 -54.08 5 9 1 135 268.253 2 ↓
Mid Mid (pH 6-8) -2.41 -6.51 -64.86 3 9 -1 137 266.237 2 ↓

Analogs

38595323
38595323
39937005
39937005
39937006
39937006

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Popular Name: Sildenafil Sildenafil

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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) 1.07 3.5 -15.16 0 10 0 107 474.587 7 ↓
Mid Mid (pH 6-8) 1.07 5.86 -54.79 1 10 1 108 475.595 7 ↓

Analogs

39937005
39937005
39937006
39937006
38595321
38595321

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Popular Name: Sildenafil Sildenafil

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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) 1.07 3.57 -15.14 0 10 0 107 474.587 7 ↓
Mid Mid (pH 6-8) 1.07 5.91 -53.5 1 10 1 108 475.595 7 ↓

Analogs

60287212
60287212
60287214
60287214
60287247
60287247
60287249
60287249
60287255
60287255

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Popular Name: sulfanylspiro[BLAH-BLAH,1'-cyclopentane]one sulfanylspiro[BLAH-BLAH,1'-cyclo…

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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) 3.68 11.31 -56.19 0 5 -1 60 323.401 0 ↓
Mid Mid (pH 6-8) 2.96 11.19 -14.3 1 5 0 63 324.409 0 ↓

Analogs

60287212
60287212
60287214
60287214
60287247
60287247
60287249
60287249
60287255
60287255

Draw Identity 99% 90% 80% 70%

Popular Name: sulfanylspiro[BLAH-BLAH,1'-cyclopentane]one sulfanylspiro[BLAH-BLAH,1'-cyclo…

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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) 3.68 11.48 -57.1 0 5 -1 60 323.401 0 ↓
Mid Mid (pH 6-8) 2.96 11.39 -14.75 1 5 0 63 324.409 0 ↓

Parameters Provided:

ring.id = 1137
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 = 1137 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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