UCSF
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Analogs

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Popular Name: 1-methyl-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]tetrazol-5-amine 1-methyl-N-[(1S)-1-(2H-tetrazol-…

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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 0.92 -34.62 1 9 -1 108 194.182 3 ↓
Lo Low (pH 4.5-6) -1.13 0.92 -9.85 2 9 0 110 195.19 3 ↓

Analogs

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Popular Name: 1-methyl-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]tetrazol-5-amine 1-methyl-N-[(1R)-1-(2H-tetrazol-…

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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 0.92 -34.62 1 9 -1 108 194.182 3 ↓
Lo Low (pH 4.5-6) -1.13 0.92 -9.84 2 9 0 110 195.19 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-N-(1H-tetrazol-5-ylmethyl)tetrazol-5-amine 1-methyl-N-(1H-tetrazol-5-ylmeth…

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) -1.69 0.28 -34.19 1 9 -1 108 180.155 3 ↓
Lo Low (pH 4.5-6) -1.69 0.28 -11.01 2 9 0 110 181.163 3 ↓

Parameters Provided:

ring.id = 312440
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 = 312440 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=312440&filter.purchasability=annotated

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