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

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

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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…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 ↓

Parameters Provided:

ring.id = 18656
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 = 18656 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=18656&filter.purchasability=annotated

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