UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N'-cyclopropyl-N'-methyl-N-(1-methyltetrazol-5-yl)ethane-1,2-diamine N'-cyclopropyl-N'-methyl-N-(1-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) -0.11 5.35 -45.39 2 6 1 60 197.266 5 ↓
Hi High (pH 8-9.5) -0.11 3.04 -9.68 1 6 0 59 196.258 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-(1-methyltetrazol-5-yl)ethane-1,2-diamine N'-cyclopropyl-N-(1-methyltetraz…

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) -0.35 3.46 -49.79 3 6 1 72 183.239 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-methyl-N-(1-methyltetrazol-5-yl)ethane-1,2-diamine N'-cyclopropyl-N-methyl-N-(1-met…

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) -0.11 4.76 -45.73 2 6 1 63 197.266 5 ↓
Hi High (pH 8-9.5) -0.11 3.49 -9.7 1 6 0 59 196.258 5 ↓

Parameters Provided:

ring.id = 312454
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 = 312454 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=312454&filter.purchasability=annotated

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