UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (oxoBLAHyl)methyl (oxoBLAHyl)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) 4.85 4.56 -14.34 0 4 0 56 362.356 5 ↓

Analogs

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Popular Name: N-cyclopropyl-oxo-BLAHcarboxamide N-cyclopropyl-oxo-BLAHcarboxamide

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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) 2.66 0.81 -20.9 1 4 0 59 279.295 2 ↓

Analogs

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Popular Name: (oxoBLAHyl)methyl (oxoBLAHyl)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) 4.37 5.09 -17.73 0 6 0 89 385.375 6 ↓

Analogs

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Popular Name: oxo-N-(5-tetrahydrofuran-2-yl-1,3,4-oxadiazol-2-yl)-BLAHcarboxamide oxo-N-(5-tetrahydrofuran-2-yl-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) 1.96 -2.23 -29.52 1 8 0 107 377.356 3 ↓

Analogs

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Popular Name: oxo-N-(5-tetrahydrofuran-2-yl-1,3,4-oxadiazol-2-yl)-BLAHcarboxamide oxo-N-(5-tetrahydrofuran-2-yl-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) 1.96 -2.21 -29.39 1 8 0 107 377.356 3 ↓

Analogs

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Popular Name: (3-oxobenzo[f]chromen-1-yl)methyl (3-oxobenzo[f]chromen-1-yl)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) 4.18 12.19 -22.36 0 7 0 104 474.49 7 ↓

Analogs

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Popular Name: 1-[(1-allyltetrazol-5-yl)sulfanylmethyl]benzo[f]chromen-3-one 1-[(1-allyltetrazol-5-yl)sulfany…

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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) 3.64 10.4 -13.8 0 6 0 74 350.403 5 ↓

Analogs

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Popular Name: 1-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzo[f]chromen-3-one 1-[(5-pyrrolidin-1-yl-1,3,4-thia…

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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) 4.64 12.22 -14.36 0 5 0 59 395.509 4 ↓

Analogs

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Popular Name: 1-(thiazol-2-ylsulfanylmethyl)benzo[f]chromen-3-one 1-(thiazol-2-ylsulfanylmethyl)be…

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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) 4.35 10.08 -11.34 0 3 0 43 325.414 3 ↓

Analogs

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Popular Name: 1-[[5-(2-furylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzo[f]chromen-3-one 1-[[5-(2-furylmethylamino)-1,3,4…

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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) 4.65 10.98 -13.96 1 6 0 81 421.503 6 ↓

Analogs

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Popular Name: (3-oxobenzo[f]chromen-1-yl)methyl (3-oxobenzo[f]chromen-1-yl)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) 3.81 12.63 -16.6 0 7 0 86 429.428 6 ↓

Analogs

39700556
39700556

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Popular Name: 1-(morpholinomethyl)benzo[f]chromen-3-one 1-(morpholinomethyl)benzo[f]chro…

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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) 2.75 8.69 -10.35 0 4 0 43 295.338 2 ↓

Analogs

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Popular Name: (3-oxobenzo[f]chromen-1-yl)methyl (3-oxobenzo[f]chromen-1-yl)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) 4.93 13.47 -17.46 1 6 0 86 437.451 6 ↓

Analogs

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Popular Name: (3-oxobenzo[f]chromen-1-yl)methyl (3-oxobenzo[f]chromen-1-yl)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) 4.10 10.42 -19.81 1 7 0 103 449.484 8 ↓
Mid Mid (pH 6-8) 4.10 10.03 -50.57 0 7 -1 105 448.476 8 ↓

Analogs

6532001
6532001
6532002
6532002

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Popular Name: 1-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one 1-[(4-benzyl-5-cyclopropyl-1,2,4…

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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) 5.18 17.01 -15.86 0 5 0 61 439.54 6 ↓

Analogs

20897695
20897695

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Popular Name: (3-oxobenzo[f]chromen-1-yl)methyl (3-oxobenzo[f]chromen-1-yl)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 14.41 -18.17 0 6 0 77 427.456 5 ↓

Analogs

20897693
20897693

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Popular Name: (3-oxobenzo[f]chromen-1-yl)methyl (3-oxobenzo[f]chromen-1-yl)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 14.46 -18.38 0 6 0 77 427.456 5 ↓

Analogs

4275917
4275917

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Popular Name: N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-oxo-benzo[f]chromene-2-carboxamide N-[5-(2-chlorophenyl)-1,3,4-oxad…

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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) 4.62 -0.33 -29.65 1 7 0 98 417.808 3 ↓

Analogs

4276147
4276147

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Popular Name: N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-oxo-benzo[f]chromene-2-carboxamide N-[5-(4-chlorophenyl)-1,3,4-oxad…

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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) 4.66 -0.73 -26.03 1 7 0 98 417.808 3 ↓

Analogs

2641611
2641611

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Popular Name: N-[5-(5-chloro-2-thienyl)-1,3,4-oxadiazol-2-yl]-3-oxo-benzo[f]chromene-2-carboxamide N-[5-(5-chloro-2-thienyl)-1,3,4-…

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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) 4.57 -1.81 -24.41 1 7 0 98 423.837 3 ↓

Analogs

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Popular Name: (3-oxobenzo[f]chromen-1-yl)methyl (3-oxobenzo[f]chromen-1-yl)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) 4.77 13.55 -15.41 0 6 0 75 418.445 8 ↓

Analogs

36707850
36707850
10460971
10460971

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Popular Name: N-(2-diethylaminoethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-oxo-benzo[f]chromene-2-carboxamide N-(2-diethylaminoethyl)-N-(6-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) 6.00 16.37 -44.93 1 6 1 68 486.617 7 ↓
Hi High (pH 8-9.5) 6.00 13.91 -17.41 0 6 0 67 485.609 7 ↓

Analogs

10461152
10461152

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Popular Name: N-(2-diethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-oxo-benzo[f]chromene-2-carboxamide N-(2-diethylaminoethyl)-N-(6-eth…

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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) 5.98 15.92 -46.8 1 7 1 77 516.643 9 ↓
Hi High (pH 8-9.5) 5.98 13.47 -15.66 0 7 0 76 515.635 9 ↓

Analogs

36710320
36710320
10461210
10461210

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Popular Name: N-(2-diethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-oxo-benzo[f]chromene-2-carboxamide N-(2-diethylaminoethyl)-N-(6-flu…

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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) 5.72 15.79 -46.03 1 6 1 68 490.58 7 ↓
Hi High (pH 8-9.5) 5.72 13.32 -15.48 0 6 0 67 489.572 7 ↓

Analogs

10461281
10461281

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Popular Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-oxo-benzo[f]chromene-2-carboxamide N-(6-chloro-1,3-benzothiazol-2-y…

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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) 6.23 16.23 -45.42 1 6 1 68 507.035 7 ↓
Hi High (pH 8-9.5) 6.23 13.77 -15.1 0 6 0 67 506.027 7 ↓

Analogs

10065720
10065720

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Popular Name: N-(2-diethylaminoethyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-3-oxo-benzo[f]chromene-2-carboxamide N-(2-diethylaminoethyl)-N-(6-eth…

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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) 6.47 17.23 -44.75 1 6 1 68 500.644 8 ↓
Hi High (pH 8-9.5) 6.47 15.06 -16.96 0 6 0 67 499.636 8 ↓

Analogs

36707633
36707633
36707679
36707679
10065746
10065746

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Popular Name: N-(2-diethylaminoethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-3-oxo-benzo[f]chromene-2-carboxamide N-(2-diethylaminoethyl)-N-(4-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) 5.98 15.89 -51.69 1 6 1 68 486.617 7 ↓
Hi High (pH 8-9.5) 5.98 13.45 -18.96 0 6 0 67 485.609 7 ↓

Analogs

10065834
10065834
10065826
10065826

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Popular Name: N-(2-diethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-oxo-benzo[f]chromene-2-carboxamide N-(2-diethylaminoethyl)-N-(4-eth…

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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) 5.96 15.68 -39.97 1 7 1 77 516.643 9 ↓
Hi High (pH 8-9.5) 5.96 13.59 -18.32 0 7 0 76 515.635 9 ↓

Analogs

36640542
36640542
36707800
36707800
36710405
36710405
10065870
10065870
10066358
10066358

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Popular Name: N-(2-diethylaminoethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-3-oxo-benzo[f]chromene-2-carboxamide N-(2-diethylaminoethyl)-N-(4-flu…

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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) 5.69 16.14 -39.21 1 6 1 68 490.58 7 ↓
Hi High (pH 8-9.5) 5.69 13.34 -18.23 0 6 0 67 489.572 7 ↓

Analogs

36707764
36707764
10065913
10065913

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Popular Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-oxo-benzo[f]chromene-2-carboxamide N-(4-chloro-1,3-benzothiazol-2-y…

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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) 6.21 16.62 -39.8 1 6 1 68 507.035 7 ↓
Hi High (pH 8-9.5) 6.21 14.18 -15.6 0 6 0 67 506.027 7 ↓

Analogs

10065960
10065960

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Popular Name: N-(2-diethylaminoethyl)-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-3-oxo-benzo[f]chromene-2-carbo N-(2-diethylaminoethyl)-N-([1,3]…

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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) 5.44 14.11 -30.32 1 8 1 86 516.599 7 ↓
Hi High (pH 8-9.5) 5.44 11.89 -15.18 0 8 0 85 515.591 7 ↓

Analogs

10066140
10066140

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Popular Name: N-(2-diethylaminoethyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-oxo-benzo[f]chromene-2-carboxamide N-(2-diethylaminoethyl)-N-(4,5-d…

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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) 6.38 17.18 -52.82 1 6 1 68 500.644 7 ↓
Hi High (pH 8-9.5) 6.38 14.74 -21.83 0 6 0 67 499.636 7 ↓

Analogs

36710500
36710500
10066175
10066175

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Popular Name: N-(2-diethylaminoethyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-oxo-benzo[f]chromene-2-carboxamide N-(2-diethylaminoethyl)-N-(4,6-d…

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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) 6.38 16.82 -35.94 1 6 1 68 500.644 7 ↓
Hi High (pH 8-9.5) 6.38 14.73 -15.46 0 6 0 67 499.636 7 ↓

Analogs

36710449
36710449
10066213
10066213
5121648
5121648

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Popular Name: N-(2-diethylaminoethyl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-oxo-benzo[f]chromene-2-carboxamide N-(2-diethylaminoethyl)-N-(5,7-d…

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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) 6.38 16.77 -28.59 1 6 1 68 500.644 7 ↓
Hi High (pH 8-9.5) 6.38 14.56 -16.47 0 6 0 67 499.636 7 ↓

Analogs

10066254
10066254
10066248
10066248

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Popular Name: N-(2-diethylaminoethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-oxo-benzo[f]chromene-2-carbox N-(2-diethylaminoethyl)-N-(4-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) 5.99 15.56 -28.01 1 7 1 77 516.643 8 ↓
Hi High (pH 8-9.5) 5.99 13.18 -20.24 0 7 0 76 515.635 8 ↓

Analogs

36707800
36707800
36710405
36710405
36638038
36638038
10066358
10066358

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Popular Name: N-(2-diethylaminoethyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-oxo-benzo[f]chromene-2-carboxamide N-(2-diethylaminoethyl)-N-(4,6-d…

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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) 5.81 15.57 -27.44 1 6 1 68 508.57 7 ↓

Analogs

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Popular Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-oxo-benzo[f]chromene-2-carboxamide N-(6-chloro-1,3-benzothiazol-2-y…

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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) 5.75 15.73 -46.67 1 6 1 68 493.008 6 ↓

Analogs

36705133
36705133
36705146
36705146

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Popular Name: N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-3-oxo-benzo[f]chromene-2-carboxamide N-[3-(dimethylamino)propyl]-N-(6…

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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) 5.99 16.64 -46.55 1 6 1 68 486.617 7 ↓

Analogs

36707764
36707764

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Popular Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-oxo-benzo[f]chromene-2-carboxamide N-(4-chloro-1,3-benzothiazol-2-y…

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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) 5.72 14.67 -38.05 1 6 1 68 493.008 6 ↓

Analogs

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Popular Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-oxo-benzo[f]chromene-2-carboxa N-(5,6-dimethoxy-1,3-benzothiazo…

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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) 4.72 14.43 -48.98 1 8 1 86 518.615 8 ↓

Analogs

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Popular Name: N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-oxo-benzo[f]chromene-2-carboxam N-[3-(dimethylamino)propyl]-N-(4…

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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) 5.90 16.69 -53.7 1 6 1 68 486.617 6 ↓

Analogs

36706094
36706094

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Popular Name: N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-oxo-benzo[f]chromene-2-carboxam N-[3-(dimethylamino)propyl]-N-(4…

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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) 5.90 16.82 -53.21 1 6 1 68 486.617 6 ↓

Analogs

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Popular Name: N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-oxo-benzo[f]chromene-2-carboxam N-[3-(dimethylamino)propyl]-N-(5…

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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) 5.90 16.51 -46.62 1 6 1 68 486.617 6 ↓

Analogs

10068716
10068716
20590125
20590125

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Popular Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-oxo-benzo[f]chromene-2-carboxa N-(4,7-dimethoxy-1,3-benzothiazo…

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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) 5.11 13.77 -49.49 1 8 1 86 518.615 8 ↓

Analogs

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Popular Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-3-oxo-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzo[f]chromene-2- N-(4-isopropyl-1,3-benzothiazol-…

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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) 6.16 15.26 -17.72 0 6 0 73 498.604 5 ↓

Analogs

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Popular Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-3-oxo-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzo[f]chromene-2- N-(4-isopropyl-1,3-benzothiazol-…

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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) 6.16 15.67 -26.6 0 6 0 73 498.604 5 ↓

Analogs

39573063
39573063
39573097
39573097

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Popular Name: (3-oxobenzo[f]chromen-1-yl)methyl (3-oxobenzo[f]chromen-1-yl)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) 4.02 12.21 -14.54 0 7 0 91 404.422 7 ↓

Analogs

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Popular Name: (3-oxobenzo[f]chromen-1-yl)methyl (3-oxobenzo[f]chromen-1-yl)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) 3.46 11.43 -14.61 0 7 0 91 390.395 6 ↓

Analogs

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Popular Name: (2S)-3-methyl-2-[3-[(3-oxobenzo[f]chromen-1-yl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazol-4-yl]buta (2S)-3-methyl-2-[3-[(3-oxobenzo[…

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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) 5.39 15.53 -59.52 0 7 -1 101 490.586 7 ↓

Analogs

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Popular Name: (2R)-3-methyl-2-[3-[(3-oxobenzo[f]chromen-1-yl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazol-4-yl]buta (2R)-3-methyl-2-[3-[(3-oxobenzo[…

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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) 5.39 15.54 -56.08 0 7 -1 101 490.586 7 ↓

Parameters Provided:

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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 = 2842 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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