UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1S)-N-(pyrimidin-4-ylmethyl)-1-(2H-tetrazol-5-yl)ethanamine (1S)-N-(pyrimidin-4-ylmethyl)-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) -0.81 -0.04 -40.2 1 7 -1 91 204.217 4 ↓
Mid Mid (pH 6-8) -0.81 1.23 -40.8 2 7 0 95 205.225 4 ↓

Analogs

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Popular Name: (1R)-N-(pyrimidin-4-ylmethyl)-1-(2H-tetrazol-5-yl)ethanamine (1R)-N-(pyrimidin-4-ylmethyl)-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) -0.81 0.07 -39.48 1 7 -1 91 204.217 4 ↓
Mid Mid (pH 6-8) -0.81 1.22 -40.34 2 7 0 95 205.225 4 ↓

Analogs

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Popular Name: 1-pyrimidin-4-yl-N-(1H-tetrazol-5-ylmethyl)methanamine 1-pyrimidin-4-yl-N-(1H-tetrazol-…

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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) -1.37 -0.45 -40.19 1 7 -1 91 190.19 4 ↓
Mid Mid (pH 6-8) -1.37 0.9 -42.06 2 7 0 95 191.198 4 ↓

Analogs

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Popular Name: (1S)-N-[(2-methylpyrimidin-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine (1S)-N-[(2-methylpyrimidin-4-yl)…

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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) -0.73 0.03 -43.57 1 7 -1 91 218.244 4 ↓
Mid Mid (pH 6-8) -0.73 1.2 -40.83 2 7 0 95 219.252 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(2-methylpyrimidin-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine (1R)-N-[(2-methylpyrimidin-4-yl)…

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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) -0.73 -0.08 -39.14 1 7 -1 91 218.244 4 ↓
Mid Mid (pH 6-8) -0.73 1.19 -40.44 2 7 0 95 219.252 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methylpyrimidin-4-yl)-N-(1H-tetrazol-5-ylmethyl)methanamine 1-(2-methylpyrimidin-4-yl)-N-(1H…

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) -1.29 -0.49 -40.66 1 7 -1 91 204.217 4 ↓
Mid Mid (pH 6-8) -1.29 0.87 -42.12 2 7 0 95 205.225 4 ↓

Parameters Provided:

ring.id = 154659
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 = 154659 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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