UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35733652
35733652
35733653
35733653
35733654
35733654
35733655
35733655
35733656
35733656

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Popular Name: N-[(1R)-1-cyclopropylethyl]-3-(1-piperidyl)propan-1-amine N-[(1R)-1-cyclopropylethyl]-3-(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) 2.51 8.45 -101.08 3 2 2 21 212.381 6 ↓
Mid Mid (pH 6-8) 2.51 6.17 -36.03 2 2 1 20 211.373 6 ↓

Analogs

35733652
35733652
35733653
35733653
35733654
35733654
35733655
35733655
35733656
35733656

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Popular Name: N-[(1S)-1-cyclopropylethyl]-3-(1-piperidyl)propan-1-amine N-[(1S)-1-cyclopropylethyl]-3-(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) 2.51 8.26 -101.29 3 2 2 21 212.381 6 ↓
Mid Mid (pH 6-8) 2.51 5.98 -36.19 2 2 1 20 211.373 6 ↓

Analogs

44518089
44518089
44518090
44518090
44518131
44518131
44518132
44518132
44518518
44518518

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Popular Name: (2R)-1-[cyclopropylmethyl(propyl)amino]-3-(4-methyl-1-piperidyl)propan-2-ol (2R)-1-[cyclopropylmethyl(propyl…

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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
Mid Mid (pH 6-8) 2.62 6.37 -34.37 2 3 1 28 269.453 8 ↓
Mid Mid (pH 6-8) 2.62 6.44 -34.13 2 3 1 28 269.453 8 ↓

Parameters Provided:

ring.id = 25531
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 = 25531 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=25531&filter.purchasability=annotated

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