UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[(4-chlorobenzyl)amino]-1-butanol 2-[(4-chlorobenzyl)amino]-1-butanol

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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) 1.70 6.74 -29.59 3 6 1 69 296.354 3 ↓
Mid Mid (pH 6-8) 1.70 6.09 -12.15 2 6 0 68 295.346 3 ↓
Mid Mid (pH 6-8) 1.70 7.17 -38.96 3 6 1 72 296.354 3 ↓

Analogs

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Popular Name: (3aR,4S)-4-(5-methoxy-2-pyrazol-1-yl-phenyl)-4,5,6,7-tetrahydro-3aH-imidazo[4,5-c]pyridine (3aR,4S)-4-(5-methoxy-2-pyrazol-…

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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) 1.70 6.07 -30.63 3 6 1 69 296.354 3 ↓
Mid Mid (pH 6-8) 1.70 5.55 -12.28 2 6 0 68 295.346 3 ↓
Mid Mid (pH 6-8) 1.70 6.93 -38.56 3 6 1 72 296.354 3 ↓

Parameters Provided:

ring.id = 421111
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 = 421111 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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