UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43903869
43903869
43903873
43903873
43903876
43903876
43903880
43903880
15064718
15064718

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Popular Name: (3S,4S)-N3-cyclopentyl-N3-methyl-chromane-3,4-diamine (3S,4S)-N3-cyclopentyl-N3-methyl…

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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) 0.71 4.32 -41.43 3 3 1 40 247.362 2 ↓
Hi High (pH 8-9.5) 0.71 4.05 -2.85 2 3 0 38 246.354 2 ↓
Mid Mid (pH 6-8) 0.71 5.82 -35.39 3 3 1 40 247.362 2 ↓

Analogs

43903869
43903869
43903873
43903873
43903876
43903876
43903880
43903880
43904320
43904320

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-N3-cyclopentyl-N3-methyl-chromane-3,4-diamine (3R,4S)-N3-cyclopentyl-N3-methyl…

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) 0.71 3.91 -44.12 3 3 1 40 247.362 2 ↓
Hi High (pH 8-9.5) 0.71 3.55 -3.23 2 3 0 38 246.354 2 ↓
Mid Mid (pH 6-8) 0.71 5.29 -35.65 3 3 1 40 247.362 2 ↓

Parameters Provided:

ring.id = 139875
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 = 139875 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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