UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2027709
2027709

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Popular Name: (1R)-1-cyclopropyl-N-(dicyclopropylmethyl)-1-phenyl-methanamine (1R)-1-cyclopropyl-N-(dicyclopro…

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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) 4.28 10.74 -31.44 2 1 1 17 242.386 6 ↓

Analogs

2027709
2027709

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Popular Name: (1S)-1-cyclopropyl-N-(dicyclopropylmethyl)-1-phenyl-methanamine (1S)-1-cyclopropyl-N-(dicyclopro…

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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) 4.28 10.53 -30.64 2 1 1 17 242.386 6 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-(dicyclopropylmethyl)-1-(p-tolyl)methanamine (1R)-1-cyclopropyl-N-(dicyclopro…

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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) 4.72 11.41 -31.44 2 1 1 17 256.413 6 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-N-(dicyclopropylmethyl)-1-(p-tolyl)methanamine (1S)-1-cyclopropyl-N-(dicyclopro…

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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) 4.72 11.2 -30.65 2 1 1 17 256.413 6 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-(dicyclopropylmethyl)-1-(4-methoxyphenyl)methanamine (1R)-1-cyclopropyl-N-(dicyclopro…

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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) 4.33 10.04 -34.03 2 2 1 26 272.412 7 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-N-(dicyclopropylmethyl)-1-(4-methoxyphenyl)methanamine (1S)-1-cyclopropyl-N-(dicyclopro…

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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) 4.33 9.83 -33.27 2 2 1 26 272.412 7 ↓

Analogs

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Popular Name: (1R)-1-(4-chlorophenyl)-1-cyclopropyl-N-(dicyclopropylmethyl)methanamine (1R)-1-(4-chlorophenyl)-1-cyclop…

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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) 4.96 11.21 -35.28 2 1 1 17 276.831 6 ↓

Analogs

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Popular Name: (1S)-1-(4-chlorophenyl)-1-cyclopropyl-N-(dicyclopropylmethyl)methanamine (1S)-1-(4-chlorophenyl)-1-cyclop…

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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) 4.96 11.03 -34.56 2 1 1 17 276.831 6 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-(dicyclopropylmethyl)-1-(4-fluorophenyl)methanamine (1R)-1-cyclopropyl-N-(dicyclopro…

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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) 4.44 10.75 -36.25 2 1 1 17 260.376 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-N-(dicyclopropylmethyl)-1-(4-fluorophenyl)methanamine (1S)-1-cyclopropyl-N-(dicyclopro…

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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) 4.44 10.58 -35.49 2 1 1 17 260.376 6 ↓

Parameters Provided:

ring.id = 135594
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 = 135594 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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