UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1S)-N-(1H-imidazol-5-ylmethyl)-1-(2H-tetrazol-5-yl)ethanamine (1S)-N-(1H-imidazol-5-ylmethyl)-…

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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) -0.90 0.81 -38.13 3 7 0 98 193.214 4 ↓
Mid Mid (pH 6-8) -0.90 -0.45 -43.9 2 7 -1 93 192.206 4 ↓
Mid Mid (pH 6-8) -0.90 1.28 -86.91 4 7 1 99 194.222 4 ↓

Analogs

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Popular Name: (1R)-N-(1H-imidazol-5-ylmethyl)-1-(2H-tetrazol-5-yl)ethanamine (1R)-N-(1H-imidazol-5-ylmethyl)-…

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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) -0.90 0.8 -37.61 3 7 0 98 193.214 4 ↓
Mid Mid (pH 6-8) -0.90 -0.35 -42.81 2 7 -1 93 192.206 4 ↓
Mid Mid (pH 6-8) -0.90 0.14 -54.45 3 7 0 95 193.214 4 ↓

Analogs

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Popular Name: 1-(1H-imidazol-5-yl)-N-(1H-tetrazol-5-ylmethyl)methanamine 1-(1H-imidazol-5-yl)-N-(1H-tetra…

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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) -1.46 0.49 -39.07 3 7 0 98 179.187 4 ↓
Mid Mid (pH 6-8) -1.46 -0.38 -51.94 3 7 0 95 179.187 4 ↓
Mid Mid (pH 6-8) -1.46 -0.87 -43.74 2 7 -1 93 178.179 4 ↓

Analogs

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

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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 0.63 -41.91 3 7 0 98 207.241 4 ↓
Hi High (pH 8-9.5) -0.81 -0.49 -46.95 2 7 -1 93 206.233 4 ↓
Hi High (pH 8-9.5) -0.81 -0.51 -40.71 2 7 -1 93 206.233 4 ↓

Parameters Provided:

ring.id = 152856
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 = 152856 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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