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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[(3R)-3-(1H-benzimidazol-2-yl)-1-piperidyl]-3,5,6,7,8,9-hexahydropyrimido[4,5-d]azepin-4-one 2-[(3R)-3-(1H-benzimidazol-2-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) 2.05 8.68 -53.35 4 7 1 94 365.461 2 ↓
Hi High (pH 8-9.5) 2.51 6.94 -69.42 3 7 0 97 364.453 2 ↓
Mid Mid (pH 6-8) 2.05 9.16 -88.68 5 7 2 96 366.469 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-3-(1H-benzimidazol-2-yl)-1-piperidyl]-3,5,6,7,8,9-hexahydropyrimido[4,5-d]azepin-4-one 2-[(3S)-3-(1H-benzimidazol-2-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) 2.05 8.68 -54.08 4 7 1 94 365.461 2 ↓
Hi High (pH 8-9.5) 2.51 6.94 -70.22 3 7 0 97 364.453 2 ↓
Mid Mid (pH 6-8) 2.05 9.16 -88 5 7 2 96 366.469 2 ↓

Parameters Provided:

ring.id = 598903
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 = 598903 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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