UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(cyclopropylamino)-N-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]propanamide 3-(cyclopropylamino)-N-[(1S)-2-(…

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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) 2.14 6.95 -44.73 3 3 1 46 265.352 7 ↓

Analogs

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Popular Name: 3-(cyclopropylamino)-N-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]propanamide 3-(cyclopropylamino)-N-[(1R)-2-(…

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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) 2.14 6.95 -44.76 3 3 1 46 265.352 7 ↓

Analogs

46061133
46061133
1614947
1614947
3289320
3289320

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Popular Name: 3-(cyclopropylamino)-N-ethyl-N-phenethyl-propanamide 3-(cyclopropylamino)-N-ethyl-N-p…

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) 2.27 8.91 -42.75 2 3 1 37 261.389 8 ↓

Analogs

46061133
46061133
1614947
1614947
3289320
3289320

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(cyclopropylamino)-N-methyl-N-phenethyl-propanamide 3-(cyclopropylamino)-N-methyl-N-…

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) 1.89 7.99 -42.99 2 3 1 37 247.362 7 ↓

Analogs

6905330
6905330
11755158
11755158

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Popular Name: 3-(cyclopropylamino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide 3-(cyclopropylamino)-N-[2-(4-sul…

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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) 0.34 0.85 -53.45 5 6 1 106 312.415 8 ↓

Parameters Provided:

ring.id = 15334
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 = 15334 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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