UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: S-phenyl S-phenyl

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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) 5.06 8.99 -8.32 0 5 0 54 390.501 3 ↓

Analogs

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Popular Name: (trimethylBLAHyl)methanol (trimethylBLAHyl)methanol

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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 2.25 -10.77 1 5 0 57 284.352 1 ↓

Analogs

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Popular Name: trimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]BLAHcarboxamide trimethyl-N-[[4-(trifluoromethyl…

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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) 4.53 7.92 -7.93 1 6 0 66 455.473 4 ↓

Analogs

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Popular Name: trimethylBLAHcarboxylic trimethylBLAHcarboxylic

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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) 2.37 5.89 -52.89 0 6 -1 77 297.327 1 ↓

Analogs

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Popular Name: morpholino-(trimethylBLAHyl)methanone morpholino-(trimethylBLAHyl)meth…

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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) 2.32 4.64 -7.27 0 7 0 66 367.442 1 ↓

Analogs

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Popular Name: 2-bromoethyl 2-bromoethyl

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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) 3.73 7.35 -8.29 0 6 0 63 405.285 4 ↓

Analogs

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Popular Name: (4-methylpiperazin-1-yl)-(trimethylBLAHyl)methanone (4-methylpiperazin-1-yl)-(trimet…

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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) 2.37 4.53 -6.77 0 7 0 60 380.485 1 ↓
Mid Mid (pH 6-8) 2.37 6.89 -40.98 1 7 1 62 381.493 1 ↓

Analogs

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Popular Name: O-[(trimethylBLAHyl)methyl] O-[(trimethylBLAHyl)methyl]

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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) 5.68 8.31 -11.6 1 6 0 58 453.988 5 ↓

Analogs

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Popular Name: O-[(trimethylBLAHyl)methyl] O-[(trimethylBLAHyl)methyl]

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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) 5.68 8.11 -10.92 1 6 0 58 453.988 5 ↓

Analogs

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Popular Name: trimethylBLAHcarbaldehyde trimethylBLAHcarbaldehyde

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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) 2.95 5.12 -7.48 0 5 0 54 282.336 1 ↓

Analogs

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Popular Name: trimethylBLAHcarbaldehyde trimethylBLAHcarbaldehyde

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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) 2.95 5.44 -12.66 0 5 0 54 282.336 1 ↓

Analogs

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Popular Name: trimethylBLAHcarbaldehyde trimethylBLAHcarbaldehyde

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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) 2.95 5.46 -10.07 0 5 0 54 282.336 1 ↓

Analogs

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Popular Name: allyloxymethyl-trimethyl-BLAH allyloxymethyl-trimethyl-BLAH

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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) 3.76 6.34 -10.72 0 5 0 46 324.417 4 ↓

Analogs

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Popular Name: allyloxymethyl-trimethyl-BLAH allyloxymethyl-trimethyl-BLAH

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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) 3.76 6.21 -9.77 0 5 0 46 324.417 4 ↓

Analogs

14254508
14254508
44280687
44280687
44280690
44280690

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Popular Name: (trimethylBLAHyl)methyl (trimethylBLAHyl)methyl

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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 7.08 -17.06 0 7 0 80 438.542 4 ↓

Analogs

44280687
44280687
44280690
44280690
14254505
14254505

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Popular Name: (trimethylBLAHyl)methyl (trimethylBLAHyl)methyl

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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 7.01 -16.35 0 7 0 80 438.542 4 ↓

Analogs

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Popular Name: O-[(trimethylBLAHyl)methyl] O-[(trimethylBLAHyl)methyl]

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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) 5.16 7.85 -12.03 1 6 0 58 437.533 5 ↓

Analogs

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Popular Name: O-[(trimethylBLAHyl)methyl] O-[(trimethylBLAHyl)methyl]

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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) 5.16 7.65 -11.34 1 6 0 58 437.533 5 ↓

Analogs

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Popular Name: trimethyl-(prop-2-ynoxymethyl)BLAH trimethyl-(prop-2-ynoxymethyl)BLAH

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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) 3.27 6.31 -12.9 0 5 0 46 322.401 3 ↓

Analogs

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Popular Name: trimethyl-(prop-2-ynoxymethyl)BLAH trimethyl-(prop-2-ynoxymethyl)BLAH

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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) 3.27 6.18 -11.95 0 5 0 46 322.401 3 ↓

Parameters Provided:

ring.id = 187614
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 = 187614 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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