UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R)-2-amino-N-[(4R)-4-[(6-methoxy-8-quinolyl)amino]pentyl]-N'-[(4S)-4-[(6-methoxy-8-quinolyl)amino] (2R)-2-amino-N-[(4R)-4-[(6-metho…

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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) 4.86 6.33 -48.11 7 11 1 154 616.787 17 ↓
Mid Mid (pH 6-8) 4.86 5.96 -20.15 6 11 0 153 615.779 17 ↓

Analogs

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Popular Name: (2R)-2-amino-N,N'-bis[(4R)-4-[(6-methoxy-8-quinolyl)amino]pentyl]butanediamide (2R)-2-amino-N,N'-bis[(4R)-4-[(6…

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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) 4.86 6.33 -48.35 7 11 1 154 616.787 17 ↓
Mid Mid (pH 6-8) 4.86 5.95 -20.11 6 11 0 153 615.779 17 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-N,N'-bis[(4S)-4-[(6-methoxy-8-quinolyl)amino]pentyl]butanediamide (2R)-2-amino-N,N'-bis[(4S)-4-[(6…

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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) 4.86 6.34 -48.26 7 11 1 154 616.787 17 ↓
Mid Mid (pH 6-8) 4.86 5.96 -20.53 6 11 0 153 615.779 17 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-N-[(4S)-4-[(6-methoxy-8-quinolyl)amino]pentyl]-N'-[(4R)-4-[(6-methoxy-8-quinolyl)amino] (2R)-2-amino-N-[(4S)-4-[(6-metho…

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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) 4.86 6.33 -48.39 7 11 1 154 616.787 17 ↓
Mid Mid (pH 6-8) 4.86 5.96 -20.4 6 11 0 153 615.779 17 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-N-[(4R)-4-[(6-methoxy-8-quinolyl)amino]pentyl]-N'-[(4S)-4-[(6-methoxy-8-quinolyl)amino] (2S)-2-amino-N-[(4R)-4-[(6-metho…

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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) 4.86 6.33 -48.42 7 11 1 154 616.787 17 ↓
Mid Mid (pH 6-8) 4.86 6 -20.2 6 11 0 153 615.779 17 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-N,N'-bis[(4R)-4-[(6-methoxy-8-quinolyl)amino]pentyl]butanediamide (2S)-2-amino-N,N'-bis[(4R)-4-[(6…

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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) 4.86 6.33 -48.25 7 11 1 154 616.787 17 ↓
Mid Mid (pH 6-8) 4.86 5.99 -20.26 6 11 0 153 615.779 17 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-N,N'-bis[(4S)-4-[(6-methoxy-8-quinolyl)amino]pentyl]butanediamide (2S)-2-amino-N,N'-bis[(4S)-4-[(6…

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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) 4.86 6.34 -48.28 7 11 1 154 616.787 17 ↓
Mid Mid (pH 6-8) 4.86 6 -19.83 6 11 0 153 615.779 17 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-N-[(4S)-4-[(6-methoxy-8-quinolyl)amino]pentyl]-N'-[(4R)-4-[(6-methoxy-8-quinolyl)amino] (2S)-2-amino-N-[(4S)-4-[(6-metho…

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) 4.86 6.33 -48.12 7 11 1 154 616.787 17 ↓
Mid Mid (pH 6-8) 4.86 6 -19.94 6 11 0 153 615.779 17 ↓

Parameters Provided:

ring.id = 484414
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 = 484414 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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