UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35497383
35497383

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Popular Name: (1S)-1-(2,5-dimethyl-3-thienyl)-N-methyl-1-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanamine (1S)-1-(2,5-dimethyl-3-thienyl)-…

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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) 4.38 10.1 -36.24 2 1 1 17 292.493 3 ↓
Mid Mid (pH 6-8) 4.38 9.28 -3.8 1 1 0 12 291.485 3 ↓

Analogs

35497381
35497381

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Popular Name: (1R)-1-(2,5-dimethyl-3-thienyl)-N-methyl-1-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanamine (1R)-1-(2,5-dimethyl-3-thienyl)-…

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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) 4.38 10.45 -36.93 2 1 1 17 292.493 3 ↓
Mid Mid (pH 6-8) 4.38 9.18 -4.09 1 1 0 12 291.485 3 ↓

Analogs

35502037
35502037

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Popular Name: (1S)-1-(2,5-dichloro-3-thienyl)-N-methyl-1-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanamine (1S)-1-(2,5-dichloro-3-thienyl)-…

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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) 5.54 9.84 -35.91 2 1 1 17 333.329 3 ↓
Mid Mid (pH 6-8) 5.54 8.83 -2.24 1 1 0 12 332.321 3 ↓

Analogs

35502036
35502036

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Popular Name: (1R)-1-(2,5-dichloro-3-thienyl)-N-methyl-1-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanamine (1R)-1-(2,5-dichloro-3-thienyl)-…

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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) 5.54 10.1 -36.48 2 1 1 17 333.329 3 ↓
Mid Mid (pH 6-8) 5.54 8.97 -1.77 1 1 0 12 332.321 3 ↓

Analogs

35502457
35502457

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Popular Name: (1S)-1-(2,5-dibromo-3-thienyl)-N-methyl-1-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanamine (1S)-1-(2,5-dibromo-3-thienyl)-N…

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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) 5.80 10.04 -35.62 2 1 1 17 422.231 3 ↓
Mid Mid (pH 6-8) 5.80 9.04 -2.24 1 1 0 12 421.223 3 ↓

Analogs

35502455
35502455

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Popular Name: (1R)-1-(2,5-dibromo-3-thienyl)-N-methyl-1-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanamine (1R)-1-(2,5-dibromo-3-thienyl)-N…

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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) 5.80 10.26 -36.21 2 1 1 17 422.231 3 ↓
Mid Mid (pH 6-8) 5.80 9.17 -1.86 1 1 0 12 421.223 3 ↓

Parameters Provided:

ring.id = 17282
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 = 17282 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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