UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

29688925
29688925
35255787
35255787
5451611
5451611

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Popular Name: 3-(5-methyltetrazol-1-yl)-N-(4-pyridylmethyl)aniline 3-(5-methyltetrazol-1-yl)-N-(4-p…

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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) 0.84 5.36 -13.52 1 6 0 69 266.308 4 ↓
Lo Low (pH 4.5-6) 0.84 5.82 -44.73 2 6 1 70 267.316 4 ↓

Analogs

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Popular Name: 3-(5-methyltetrazol-1-yl)-N-[(1S)-1-(4-pyridyl)ethyl]aniline 3-(5-methyltetrazol-1-yl)-N-[(1S…

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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) 1.39 6.09 -13.77 1 6 0 69 280.335 4 ↓
Lo Low (pH 4.5-6) 1.39 6.55 -44.74 2 6 1 70 281.343 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(5-methyltetrazol-1-yl)-N-[(1R)-1-(4-pyridyl)ethyl]aniline 3-(5-methyltetrazol-1-yl)-N-[(1R…

Find On: PubMed — Wikipedia — Google

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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) 1.39 6.08 -13.7 1 6 0 69 280.335 4 ↓
Lo Low (pH 4.5-6) 1.39 6.54 -45.1 2 6 1 70 281.343 4 ↓

Parameters Provided:

ring.id = 149998
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 = 149998 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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