UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1R)-N'-cyclopropyl-N'-ethyl-1-(2-naphthyl)ethane-1,2-diamine (1R)-N'-cyclopropyl-N'-ethyl-1-(…

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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) 1.38 8.78 -35.33 3 2 1 30 255.385 5 ↓
Mid Mid (pH 6-8) 1.38 8.86 -121.97 4 2 2 32 256.393 5 ↓

Analogs

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Popular Name: (1S)-N'-cyclopropyl-N'-ethyl-1-(2-naphthyl)ethane-1,2-diamine (1S)-N'-cyclopropyl-N'-ethyl-1-(…

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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) 1.38 8.78 -31.98 3 2 1 30 255.385 5 ↓
Mid Mid (pH 6-8) 1.38 9.15 -124.57 4 2 2 32 256.393 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N'-cyclopropyl-N'-methyl-1-(2-naphthyl)ethane-1,2-diamine (1R)-N'-cyclopropyl-N'-methyl-1-…

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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) 1.01 8.13 -34.41 3 2 1 30 241.358 4 ↓
Mid Mid (pH 6-8) 1.01 8.2 -121.59 4 2 2 32 242.366 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N'-cyclopropyl-N'-methyl-1-(2-naphthyl)ethane-1,2-diamine (1S)-N'-cyclopropyl-N'-methyl-1-…

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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) 1.01 8.16 -36.63 3 2 1 30 241.358 4 ↓
Mid Mid (pH 6-8) 1.01 8.47 -126.59 4 2 2 32 242.366 4 ↓

Analogs

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Popular Name: (1R)-N'-cyclopropyl-1-(2-naphthyl)-N'-propyl-ethane-1,2-diamine (1R)-N'-cyclopropyl-1-(2-naphthy…

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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) 1.88 9.53 -35.78 3 2 1 30 269.412 6 ↓
Mid Mid (pH 6-8) 1.88 9.86 -126.49 4 2 2 32 270.42 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N'-cyclopropyl-1-(2-naphthyl)-N'-propyl-ethane-1,2-diamine (1S)-N'-cyclopropyl-1-(2-naphthy…

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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) 1.88 9.53 -32.48 3 2 1 30 269.412 6 ↓
Mid Mid (pH 6-8) 1.88 9.96 -126.83 4 2 2 32 270.42 6 ↓

Analogs

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Popular Name: (1S)-2-(cyclopropylamino)-1-(6-methoxy-2-naphthyl)ethanol (1S)-2-(cyclopropylamino)-1-(6-m…

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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) 2.49 5.21 -43.12 3 3 1 46 258.341 5 ↓
Hi High (pH 8-9.5) 2.49 3.92 -6.14 2 3 0 41 257.333 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(cyclopropylamino)-1-(6-methoxy-2-naphthyl)ethanol (1R)-2-(cyclopropylamino)-1-(6-m…

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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) 2.49 5.28 -43.06 3 3 1 46 258.341 5 ↓
Hi High (pH 8-9.5) 2.49 3.92 -6.32 2 3 0 41 257.333 5 ↓

Analogs

42249980
42249980

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Popular Name: (1R)-2-[cyclopropyl(isobutyl)amino]-1-(2-naphthyl)ethanol (1R)-2-[cyclopropyl(isobutyl)ami…

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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) 3.83 9.86 -36.17 2 2 1 25 284.423 6 ↓

Analogs

42249975
42249975

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Popular Name: (1S)-2-[cyclopropyl(isobutyl)amino]-1-(2-naphthyl)ethanol (1S)-2-[cyclopropyl(isobutyl)ami…

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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) 3.83 9.87 -35.26 2 2 1 25 284.423 6 ↓

Analogs

42250460
42250460

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Popular Name: (1R)-2-[butyl(cyclopropyl)amino]-1-(2-naphthyl)ethanol (1R)-2-[butyl(cyclopropyl)amino]…

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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) 4.14 9.99 -37.3 2 2 1 25 284.423 7 ↓

Analogs

42250456
42250456

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Popular Name: (1S)-2-[butyl(cyclopropyl)amino]-1-(2-naphthyl)ethanol (1S)-2-[butyl(cyclopropyl)amino]…

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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) 4.14 9.99 -36.27 2 2 1 25 284.423 7 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 75421 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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