UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(3-nitrophenyl)methyl]-1-oxo-thian-4-amine N-[(3-nitrophenyl)methyl]-1-oxo-…

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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) 0.82 5.42 -70.26 2 5 1 80 269.346 4 ↓
Mid Mid (pH 6-8) 0.82 4.22 -16.38 1 5 0 75 268.338 4 ↓

Analogs

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Popular Name: (2S)-2-[(1-oxothian-4-yl)amino]-2-phenyl-ethanol (2S)-2-[(1-oxothian-4-yl)amino]-…

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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) 0.44 2.22 -52.81 3 3 1 54 254.375 4 ↓
Hi High (pH 8-9.5) 0.44 1.29 -12.16 2 3 0 49 253.367 4 ↓

Analogs

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Popular Name: (2R)-2-[(1-oxothian-4-yl)amino]-2-phenyl-ethanol (2R)-2-[(1-oxothian-4-yl)amino]-…

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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) 0.44 2.11 -56.22 3 3 1 54 254.375 4 ↓
Hi High (pH 8-9.5) 0.44 1.07 -12.94 2 3 0 49 253.367 4 ↓

Parameters Provided:

ring.id = 36307
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 = 36307 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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