UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-benzo[d]1,3-dioxolen-5-yl-3-((3-methoxyphenyl)amino)inden-1-one 2-benzo[d]1,3-dioxolen-5-yl-3-((…

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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) 5.88 7.82 -50.23 0 5 -1 63 370.384 3 ↓
Lo Low (pH 4.5-6) 5.68 9.44 -11.18 1 5 0 57 371.392 4 ↓

Analogs

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Popular Name: 2-thienyl-N-{3-[(2-thienylmethyl)amino]-1H-inden-1-yliden}methanaminium chloride 2-thienyl-N-{3-[(2-thienylmethyl…

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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) 5.20 9.84 -25.46 2 2 1 26 337.493 5 ↓
Ref Reference (pH 7) 5.20 10.12 -26.38 2 2 1 26 337.493 5 ↓
Hi High (pH 8-9.5) 5.20 9.1 -8.41 1 2 0 24 336.485 5 ↓

Analogs

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Popular Name: [(2-methyl-3-phenyl-inden-1-ylidene)amino]urea [(2-methyl-3-phenyl-inden-1-ylid…

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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) 3.96 6.52 -8.51 3 4 0 67 277.327 2 ↓

Analogs

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Popular Name: 4-nitro-N-[(3-phenylinden-1-ylidene)amino]aniline 4-nitro-N-[(3-phenylinden-1-ylid…

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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) 5.96 13.12 -9.54 1 5 0 70 341.37 4 ↓

Parameters Provided:

ring.id = 18730
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 = 18730 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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