UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(2-aminophenyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone 2-(2-aminophenyl)-1-(4-cycloprop…

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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) 1.16 4.46 -8.77 2 4 0 50 259.353 3 ↓
Mid Mid (pH 6-8) 1.16 6.65 -44.16 3 4 1 51 260.361 3 ↓

Analogs

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Popular Name: (2R)-2-amino-1-(4-cyclopropylpiperazin-1-yl)-2-phenyl-propan-1-one (2R)-2-amino-1-(4-cyclopropylpip…

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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) 1.36 6.03 -38.92 3 4 1 51 274.388 3 ↓
Mid Mid (pH 6-8) 1.36 3.82 -7.32 2 4 0 50 273.38 3 ↓
Lo Low (pH 4.5-6) 1.36 6.29 -101.78 4 4 2 52 275.396 3 ↓

Analogs

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Popular Name: (2S)-2-amino-1-(4-cyclopropylpiperazin-1-yl)-2-phenyl-propan-1-one (2S)-2-amino-1-(4-cyclopropylpip…

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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) 1.36 6.08 -39 3 4 1 51 274.388 3 ↓
Mid Mid (pH 6-8) 1.36 3.89 -5.67 2 4 0 50 273.38 3 ↓
Lo Low (pH 4.5-6) 1.36 6.28 -107.39 4 4 2 52 275.396 3 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone 2-(3-aminophenyl)-1-(4-cycloprop…

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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) 0.78 6.55 -43.44 3 4 1 51 260.361 3 ↓
Hi High (pH 8-9.5) 0.78 4.35 -9.28 2 4 0 50 259.353 3 ↓

Analogs

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Popular Name: 1-(4-cyclopropylpiperazin-1-yl)-2-(2-nitrophenyl)ethanone 1-(4-cyclopropylpiperazin-1-yl)-…

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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) 1.64 9.05 -45.56 1 6 1 71 290.343 4 ↓
Mid Mid (pH 6-8) 1.64 6.86 -13.95 0 6 0 69 289.335 4 ↓

Analogs

36170434
36170434
20185649
20185649
22168686
22168686

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminophenyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone 2-(4-aminophenyl)-1-(4-cycloprop…

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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) 0.80 4.37 -9.12 2 4 0 50 259.353 3 ↓
Mid Mid (pH 6-8) 0.80 6.56 -43.07 3 4 1 51 260.361 3 ↓

Analogs

19687791
19687791
36190029
36190029
34758180
34758180

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Popular Name: (2S)-2-amino-1-(4-cyclopropylpiperazin-1-yl)-2-phenyl-ethanone (2S)-2-amino-1-(4-cyclopropylpip…

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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) -0.96 3.22 -7.15 2 4 0 50 259.353 3 ↓
Mid Mid (pH 6-8) -0.96 3.55 -43.29 3 4 1 51 260.361 3 ↓
Mid Mid (pH 6-8) -0.96 5.41 -41.33 3 4 1 51 260.361 3 ↓

Analogs

19687791
19687791
36190029
36190029
34758180
34758180

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-1-(4-cyclopropylpiperazin-1-yl)-2-phenyl-ethanone (2R)-2-amino-1-(4-cyclopropylpip…

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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) -0.96 3.2 -7.82 2 4 0 50 259.353 3 ↓
Mid Mid (pH 6-8) -0.96 3.53 -43.3 3 4 1 51 260.361 3 ↓
Mid Mid (pH 6-8) -0.96 5.4 -42.53 3 4 1 51 260.361 3 ↓

Analogs

36170928
36170928
36170929
36170929
36720077
36720077
36720078
36720078
37009334
37009334

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Popular Name: (2S)-2-chloro-1-(4-cyclopropylpiperazin-1-yl)-2-phenyl-ethanone (2S)-2-chloro-1-(4-cyclopropylpi…

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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) 2.11 6.88 -7.93 0 3 0 24 278.783 3 ↓
Mid Mid (pH 6-8) 2.11 9.07 -43.05 1 3 1 25 279.791 3 ↓

Analogs

36170928
36170928
36170929
36170929
36720077
36720077
36720078
36720078
37009334
37009334

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-chloro-1-(4-cyclopropylpiperazin-1-yl)-2-phenyl-ethanone (2R)-2-chloro-1-(4-cyclopropylpi…

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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) 2.11 6.88 -7.79 0 3 0 24 278.783 3 ↓
Mid Mid (pH 6-8) 2.11 9.07 -42.65 1 3 1 25 279.791 3 ↓

Parameters Provided:

ring.id = 14899
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 = 14899 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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