UCSF
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Analogs

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Popular Name: 1H-Imidazole-1-ethanol, alpha-((2-methyl-1-aziridinyl)methyl)-2-nitro-; BRN 5817730; LS-78660; NSC 358270; RSU-1131; Rsu 1131 1H-Imidazole-1-ethanol, alpha-((…

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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) -0.12 5.88 -50.81 2 7 1 91 227.244 5 ↓
Mid Mid (pH 6-8) -0.12 6.36 -93.52 3 7 2 92 228.252 5 ↓

Analogs

15869273
15869273
13099549
13099549
13099550
13099550

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Popular Name: 1-(2,3-dimethyl-1-aziridinyl)-3-(2-(hydroxy(oxido)amino)-1H-imidazol-1-yl)-2-propanol; nsc601351 1-(2,3-dimethyl-1-aziridinyl)-3-…

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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) 0.25 6.39 -49.73 2 7 1 91 241.271 5 ↓
Mid Mid (pH 6-8) 0.25 6.86 -92.95 3 7 2 92 242.279 5 ↓

Analogs

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Popular Name: RSU-1069 RSU-1069

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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) -0.48 5.49 -52.47 2 7 1 91 213.217 5 ↓
Mid Mid (pH 6-8) -0.48 5.97 -94.43 3 7 2 92 214.225 5 ↓

Parameters Provided:

ring.id = 133476
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 = 133476 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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