UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4169826
4169826

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Popular Name: methoxy-phenyl-BLAHone methoxy-phenyl-BLAHone

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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) 4.02 4.66 -56.68 0 5 -1 67 305.313 2 ↓
Mid Mid (pH 6-8) 4.02 -2.27 -18.61 1 5 0 64 306.321 2 ↓

Analogs

4169825
4169825

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Popular Name: methoxy-(p-tolyl)BLAHone methoxy-(p-tolyl)BLAHone

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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) 4.47 5.33 -56.63 0 5 -1 67 319.34 2 ↓
Mid Mid (pH 6-8) 4.47 -1.94 -18.46 1 5 0 64 320.348 2 ↓

Analogs

4169835
4169835

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Popular Name: methoxy-(3-methoxyphenyl)-BLAHone methoxy-(3-methoxyphenyl)-BLAHone

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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) 4.05 3.95 -58.99 0 6 -1 77 335.339 3 ↓
Mid Mid (pH 6-8) 4.05 -2.25 -20.9 1 6 0 73 336.347 3 ↓

Analogs

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Popular Name: ethoxy-(3-methoxyphenyl)-BLAHone ethoxy-(3-methoxyphenyl)-BLAHone

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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) 4.43 4.87 -59.04 0 6 -1 77 349.366 4 ↓
Mid Mid (pH 6-8) 4.43 -2.24 -20.99 1 6 0 73 350.374 4 ↓

Analogs

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Popular Name: methoxy-(2-methoxyphenyl)-BLAHone methoxy-(2-methoxyphenyl)-BLAHone

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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) 4.03 4.59 -61.53 0 6 -1 77 335.339 3 ↓
Mid Mid (pH 6-8) 4.03 -1.63 -21.05 1 6 0 73 336.347 3 ↓

Analogs

4169827
4169827

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Popular Name: (3-hydroxyphenyl)-methoxy-BLAHone (3-hydroxyphenyl)-methoxy-BLAHone

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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) 3.51 1.79 -57.38 1 6 -1 88 321.312 2 ↓
Mid Mid (pH 6-8) 3.51 -4.23 -20.3 2 6 0 84 322.32 2 ↓

Analogs

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Popular Name: (2-hydroxyphenyl)-methoxy-BLAHone (2-hydroxyphenyl)-methoxy-BLAHone

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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) 3.75 2.43 -58.06 1 6 -1 88 321.312 2 ↓
Mid Mid (pH 6-8) 3.75 -3.6 -19.58 2 6 0 84 322.32 2 ↓

Analogs

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Popular Name: ethoxy-(2-hydroxyphenyl)-BLAHone ethoxy-(2-hydroxyphenyl)-BLAHone

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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) 4.13 3.35 -58.14 1 6 -1 88 335.339 3 ↓
Mid Mid (pH 6-8) 4.13 -3.59 -19.54 2 6 0 84 336.347 3 ↓

Analogs

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Popular Name: ethoxy-(2-methoxyphenyl)-BLAHone ethoxy-(2-methoxyphenyl)-BLAHone

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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) 4.40 5.51 -61.6 0 6 -1 77 349.366 4 ↓
Mid Mid (pH 6-8) 4.40 -1.62 -20.97 1 6 0 73 350.374 4 ↓

Analogs

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Popular Name: (5-chloro-2-hydroxy-phenyl)-ethoxy-BLAHone (5-chloro-2-hydroxy-phenyl)-etho…

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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) 4.78 3.87 -54.41 1 6 -1 88 369.784 3 ↓
Hi High (pH 8-9.5) 4.78 4.65 -130.55 0 6 -2 90 368.776 3 ↓
Mid Mid (pH 6-8) 4.78 -3.76 -17.9 2 6 0 84 370.792 3 ↓

Analogs

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Popular Name: ethoxy-(3-ethoxy-2-hydroxy-phenyl)-BLAHone ethoxy-(3-ethoxy-2-hydroxy-pheny…

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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) 4.31 4.2 -60.1 1 7 -1 97 379.392 5 ↓
Mid Mid (pH 6-8) 4.31 -3.26 -21.57 2 7 0 93 380.4 5 ↓

Analogs

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Popular Name: (5R)-5-(4-chlorophenyl)-N8,N8-diethyl-4-imino-5H-chromeno[2,3-d]pyrimidine-3,8-diamine (5R)-5-(4-chlorophenyl)-N8,N8-di…

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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) 0.41 9.95 -54.55 5 6 0 82 397.91 4 ↓
Mid Mid (pH 6-8) 0.41 9.84 -36.06 4 6 1 81 396.902 4 ↓

Analogs

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Popular Name: (5S)-5-(4-chlorophenyl)-N8,N8-diethyl-4-imino-5H-chromeno[2,3-d]pyrimidine-3,8-diamine (5S)-5-(4-chlorophenyl)-N8,N8-di…

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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) 0.41 9.95 -54.55 5 6 0 82 397.91 4 ↓
Mid Mid (pH 6-8) 0.41 9.85 -36.05 4 6 1 81 396.902 4 ↓

Analogs

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Popular Name: (5R)-5-(4-bromophenyl)-N8,N8-diethyl-4-imino-5H-chromeno[2,3-d]pyrimidine-3,8-diamine (5R)-5-(4-bromophenyl)-N8,N8-die…

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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) 0.54 10.05 -54.38 5 6 0 82 442.361 4 ↓
Mid Mid (pH 6-8) 0.54 9.95 -36.05 4 6 1 81 441.353 4 ↓

Analogs

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Popular Name: (5S)-5-(4-bromophenyl)-N8,N8-diethyl-4-imino-5H-chromeno[2,3-d]pyrimidine-3,8-diamine (5S)-5-(4-bromophenyl)-N8,N8-die…

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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) 0.54 10.06 -54.42 5 6 0 82 442.361 4 ↓
Mid Mid (pH 6-8) 0.54 9.95 -36.04 4 6 1 81 441.353 4 ↓

Analogs

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Popular Name: (5R)-5-(4-chlorophenyl)-N,N-diethyl-4-imino-3-methyl-5H-chromeno[2,3-d]pyrimidin-8-amine (5R)-5-(4-chlorophenyl)-N,N-diet…

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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) 1.03 11.68 -55.56 3 5 0 56 396.922 4 ↓
Hi High (pH 8-9.5) 3.31 11.65 -11.72 1 5 0 54 394.906 4 ↓
Mid Mid (pH 6-8) 1.03 11.58 -37.51 2 5 1 55 395.914 4 ↓

Analogs

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Popular Name: (5S)-5-(4-chlorophenyl)-N,N-diethyl-4-imino-3-methyl-5H-chromeno[2,3-d]pyrimidin-8-amine (5S)-5-(4-chlorophenyl)-N,N-diet…

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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) 1.03 11.68 -55.48 3 5 0 56 396.922 4 ↓
Hi High (pH 8-9.5) 3.31 11.65 -11.7 1 5 0 54 394.906 4 ↓
Mid Mid (pH 6-8) 1.03 11.58 -37.46 2 5 1 55 395.914 4 ↓

Parameters Provided:

ring.id = 246915
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 = 246915 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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