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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (3R)-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-1-methyl-pyrrolidin-3-amine (3R)-N-[(1S)-2-cyclopropyl-1-met…

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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) 1.72 4.04 -34.15 2 2 1 20 183.319 4 ↓
Hi High (pH 8-9.5) 1.72 3.04 -0.73 1 2 0 15 182.311 4 ↓
Mid Mid (pH 6-8) 1.72 5.45 -32.41 2 2 1 16 183.319 4 ↓

Analogs

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Popular Name: (3R)-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-1-methyl-pyrrolidin-3-amine (3R)-N-[(1R)-2-cyclopropyl-1-met…

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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) 1.72 3.93 -35.4 2 2 1 20 183.319 4 ↓
Hi High (pH 8-9.5) 1.72 3.08 -0.7 1 2 0 15 182.311 4 ↓
Mid Mid (pH 6-8) 1.72 5.77 -32.72 2 2 1 16 183.319 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-1-methyl-pyrrolidin-3-amine (3S)-N-[(1S)-2-cyclopropyl-1-met…

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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) 1.72 3.47 -34.21 2 2 1 20 183.319 4 ↓
Hi High (pH 8-9.5) 1.72 2.82 -0.9 1 2 0 15 182.311 4 ↓
Mid Mid (pH 6-8) 1.72 5.61 -31.57 2 2 1 16 183.319 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-1-methyl-pyrrolidin-3-amine (3S)-N-[(1R)-2-cyclopropyl-1-met…

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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) 1.72 4.01 -34.07 2 2 1 20 183.319 4 ↓
Hi High (pH 8-9.5) 1.72 3.14 -1.11 1 2 0 15 182.311 4 ↓
Mid Mid (pH 6-8) 1.72 5.56 -31.81 2 2 1 16 183.319 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-1-isopropyl-pyrrolidin-3-amine (3S)-N-[(1S)-2-cyclopropyl-1-met…

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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) 2.39 5.44 -34.46 2 2 1 20 211.373 5 ↓
Hi High (pH 8-9.5) 2.39 4.44 -0.47 1 2 0 15 210.365 5 ↓
Mid Mid (pH 6-8) 2.39 7.84 -103.49 3 2 2 21 212.381 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-1-isopropyl-pyrrolidin-3-amine (3R)-N-[(1S)-2-cyclopropyl-1-met…

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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) 2.39 5 -34.31 2 2 1 20 211.373 5 ↓
Hi High (pH 8-9.5) 2.39 4.27 -0.5 1 2 0 15 210.365 5 ↓
Mid Mid (pH 6-8) 2.39 7.35 -102.52 3 2 2 21 212.381 5 ↓

Analogs

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Popular Name: (3R)-N-[(1S)-1-(cyclopropylmethyl)propyl]-1-methyl-pyrrolidin-3-amine (3R)-N-[(1S)-1-(cyclopropylmethy…

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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) 2.25 4.64 -34.63 2 2 1 20 197.346 5 ↓
Hi High (pH 8-9.5) 2.25 3.75 -0.52 1 2 0 15 196.338 5 ↓
Mid Mid (pH 6-8) 2.25 6.41 -33.13 2 2 1 16 197.346 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1R)-1-(cyclopropylmethyl)propyl]-1-methyl-pyrrolidin-3-amine (3R)-N-[(1R)-1-(cyclopropylmethy…

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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) 2.25 4.45 -34.33 2 2 1 20 197.346 5 ↓
Hi High (pH 8-9.5) 2.25 3.66 -0.6 1 2 0 15 196.338 5 ↓
Mid Mid (pH 6-8) 2.25 6.37 -33.35 2 2 1 16 197.346 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S)-1-(cyclopropylmethyl)propyl]-1-methyl-pyrrolidin-3-amine (3S)-N-[(1S)-1-(cyclopropylmethy…

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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) 2.25 4.34 -33.46 2 2 1 20 197.346 5 ↓
Hi High (pH 8-9.5) 2.25 3.81 -0.69 1 2 0 15 196.338 5 ↓
Mid Mid (pH 6-8) 2.25 5.96 -32.23 2 2 1 16 197.346 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R)-1-(cyclopropylmethyl)propyl]-1-methyl-pyrrolidin-3-amine (3S)-N-[(1R)-1-(cyclopropylmethy…

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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) 2.25 4.67 -35.35 2 2 1 20 197.346 5 ↓
Hi High (pH 8-9.5) 2.25 3.79 -1.04 1 2 0 15 196.338 5 ↓
Mid Mid (pH 6-8) 2.25 6.24 -32.02 2 2 1 16 197.346 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1S)-1-(cyclopropylmethyl)propyl]-1-isopropyl-pyrrolidin-3-amine (3R)-N-[(1S)-1-(cyclopropylmethy…

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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) 2.93 5.91 -33.54 2 2 1 20 225.4 6 ↓
Hi High (pH 8-9.5) 2.93 5.23 -0.24 1 2 0 15 224.392 6 ↓
Mid Mid (pH 6-8) 2.93 7.59 -30.83 2 2 1 16 225.4 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1R)-1-(cyclopropylmethyl)propyl]-1-isopropyl-pyrrolidin-3-amine (3R)-N-[(1R)-1-(cyclopropylmethy…

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) 2.93 6.16 -34.8 2 2 1 20 225.4 6 ↓
Hi High (pH 8-9.5) 2.93 5.22 -0.56 1 2 0 15 224.392 6 ↓
Mid Mid (pH 6-8) 2.93 8.56 -107.95 3 2 2 21 226.408 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S)-1-(cyclopropylmethyl)propyl]-1-isopropyl-pyrrolidin-3-amine (3S)-N-[(1S)-1-(cyclopropylmethy…

Find On: PubMed — Wikipedia — Google

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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) 2.93 6.06 -34.73 2 2 1 20 225.4 6 ↓
Hi High (pH 8-9.5) 2.93 5.17 -0.28 1 2 0 15 224.392 6 ↓
Mid Mid (pH 6-8) 2.93 8.4 -105.22 3 2 2 21 226.408 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R)-1-(cyclopropylmethyl)propyl]-1-isopropyl-pyrrolidin-3-amine (3S)-N-[(1R)-1-(cyclopropylmethy…

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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) 2.93 5.9 -34.44 2 2 1 20 225.4 6 ↓
Hi High (pH 8-9.5) 2.93 5.07 -0.49 1 2 0 15 224.392 6 ↓
Mid Mid (pH 6-8) 2.93 7.4 -29.89 2 2 1 16 225.4 6 ↓

Parameters Provided:

ring.id = 385032
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 = 385032 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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