UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

16577230
16577230
16577234
16577234
16577238
16577238

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Popular Name: (1S,3R)-N-benzhydryl-3-[2-(benzhydrylamino)-2-oxo-ethyl]-2,2-dimethyl-cyclobutane-1-carboxamide (1S,3R)-N-benzhydryl-3-[2-(benzh…

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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) 7.18 17.25 -21.04 2 4 0 58 516.685 9 ↓

Analogs

16577234
16577234
16577238
16577238
16577225
16577225

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-N-benzhydryl-3-[2-(benzhydrylamino)-2-oxo-ethyl]-2,2-dimethyl-cyclobutane-1-carboxamide (1S,3S)-N-benzhydryl-3-[2-(benzh…

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Activity (Go SEA)

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) 7.18 17.42 -12.74 2 4 0 58 516.685 9 ↓

Analogs

16577238
16577238
16577225
16577225
16577230
16577230

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-N-benzhydryl-3-[2-(benzhydrylamino)-2-oxo-ethyl]-2,2-dimethyl-cyclobutane-1-carboxamide (1R,3R)-N-benzhydryl-3-[2-(benzh…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 7.18 17.45 -12.47 2 4 0 58 516.685 9 ↓

Analogs

16577225
16577225
16577230
16577230

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-N-benzhydryl-3-[2-(benzhydrylamino)-2-oxo-ethyl]-2,2-dimethyl-cyclobutane-1-carboxamide (1R,3S)-N-benzhydryl-3-[2-(benzh…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 7.18 17.26 -21.66 2 4 0 58 516.685 9 ↓

Parameters Provided:

ring.id = 256356
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 = 256356 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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