UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(1-methyltetrazol-5-yl)-N-(4-pyridylmethyl)aniline 3-(1-methyltetrazol-5-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) 1.38 4.75 -13.27 1 6 0 69 266.308 4 ↓
Lo Low (pH 4.5-6) 1.38 5.21 -44.19 2 6 1 70 267.316 4 ↓

Analogs

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Popular Name: 3-(1-methyltetrazol-5-yl)-N-[(1S)-1-(4-pyridyl)ethyl]aniline 3-(1-methyltetrazol-5-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) 1.94 5.47 -13.52 1 6 0 69 280.335 4 ↓
Lo Low (pH 4.5-6) 1.94 5.93 -44.32 2 6 1 70 281.343 4 ↓

Analogs

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

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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) 1.94 5.46 -13.46 1 6 0 69 280.335 4 ↓
Lo Low (pH 4.5-6) 1.94 5.92 -44.53 2 6 1 70 281.343 4 ↓

Analogs

9453824
9453824
4710654
4710654

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Popular Name: N-(4-pyridylmethyl)-3-(1H-tetrazol-5-yl)aniline N-(4-pyridylmethyl)-3-(1H-tetraz…

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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) 1.31 3.72 -43.34 1 6 -1 78 251.273 4 ↓
Lo Low (pH 4.5-6) 1.31 4.18 -65.18 2 6 0 79 252.281 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(4-pyridyl)ethyl]-3-(1H-tetrazol-5-yl)aniline N-[(1S)-1-(4-pyridyl)ethyl]-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) 1.87 4.46 -43.66 1 6 -1 78 265.3 4 ↓
Lo Low (pH 4.5-6) 1.87 4.91 -65.46 2 6 0 79 266.308 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(4-pyridyl)ethyl]-3-(1H-tetrazol-5-yl)aniline N-[(1R)-1-(4-pyridyl)ethyl]-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) 1.87 4.44 -43.72 1 6 -1 78 265.3 4 ↓
Lo Low (pH 4.5-6) 1.87 4.9 -65.44 2 6 0 79 266.308 4 ↓

Parameters Provided:

ring.id = 127506
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 = 127506 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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