UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43902417
43902417
43902420
43902420
23066734
23066734
35765979
35765979
35765981
35765981

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Popular Name: (1R)-N'-cyclopentyl-N'-methyl-1-(1-naphthyl)ethane-1,2-diamine (1R)-N'-cyclopentyl-N'-methyl-1-…

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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) 2.02 9.16 -38.29 3 2 1 30 269.412 4 ↓
Mid Mid (pH 6-8) 2.02 9.48 -135.2 4 2 2 32 270.42 4 ↓

Analogs

43902417
43902417
43902420
43902420
23066734
23066734
35765979
35765979
35765981
35765981

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N'-cyclopentyl-N'-methyl-1-(1-naphthyl)ethane-1,2-diamine (1S)-N'-cyclopentyl-N'-methyl-1-…

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) 2.02 9.12 -34.74 3 2 1 30 269.412 4 ↓
Mid Mid (pH 6-8) 2.02 9.54 -135.1 4 2 2 32 270.42 4 ↓

Parameters Provided:

ring.id = 139857
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 = 139857 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=139857&filter.purchasability=annotated

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