UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N'-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-N'-(3-thienylmethyl)ethane-1,2-diamine N'-cyclopropyl-N-[(1S)-1-cyclopr…

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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) 2.68 7.25 -35.92 2 2 1 20 265.446 8 ↓
Hi High (pH 8-9.5) 2.68 6.08 -1.83 1 2 0 15 264.438 8 ↓
Mid Mid (pH 6-8) 2.68 9.33 -109.35 3 2 2 21 266.454 8 ↓

Analogs

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Popular Name: N'-cyclopropyl-N-[(1R)-1-cyclopropylethyl]-N'-(3-thienylmethyl)ethane-1,2-diamine N'-cyclopropyl-N-[(1R)-1-cyclopr…

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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) 2.68 7.35 -35.55 2 2 1 20 265.446 8 ↓
Hi High (pH 8-9.5) 2.68 6.2 -1.85 1 2 0 15 264.438 8 ↓
Mid Mid (pH 6-8) 2.68 9.44 -108.68 3 2 2 21 266.454 8 ↓

Analogs

52457038
52457038
52457040
52457040
52541903
52541903
52541905
52541905
52541950
52541950

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Popular Name: N-cyclopropyl-N'-(cyclopropylmethyl)-N-(3-thienylmethyl)ethane-1,2-diamine N-cyclopropyl-N'-(cyclopropylmet…

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) 2.00 6.73 -38.97 2 2 1 20 251.419 8 ↓
Mid Mid (pH 6-8) 2.00 9.05 -118.7 3 2 2 21 252.427 8 ↓

Parameters Provided:

ring.id = 59994
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 = 59994 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=59994&filter.purchasability=annotated

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