UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(6-methoxy-3-pyridyl)-oxo-BLAHcarboxamide N-(6-methoxy-3-pyridyl)-oxo-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) 2.44 5.6 -17.55 1 7 0 86 364.405 3 ↓

Analogs

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Popular Name: [(3E)-2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl] [(3E)-2-oxo-3-(1,3,3-trimethylin…

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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) 4.88 15.15 -16.01 0 7 0 82 471.557 5 ↓

Analogs

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Popular Name: N-[3-(2-furylmethylsulfamoyl)phenyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carbo N-[3-(2-furylmethylsulfamoyl)phe…

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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) 2.81 7.13 -24.37 2 9 0 123 492.557 6 ↓

Analogs

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Popular Name: 1-(2-fluorophenyl)-3-[(12-oxo7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carbonyl)amino]thiou 1-(2-fluorophenyl)-3-[(12-oxo7,8…

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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) 2.54 9.81 -21.3 3 7 0 88 425.489 5 ↓

Analogs

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Popular Name: 3-[(12-oxo7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carbonyl)amino]-1-phenyl-thiourea 3-[(12-oxo7,8,9,10-tetrahydro-6H…

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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) 2.42 9.67 -24.08 3 7 0 88 407.499 5 ↓

Analogs

3420150
3420150

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Popular Name: [3-(trifluoromethyl)phenyl]methyl [3-(trifluoromethyl)phenyl]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) 4.86 12.49 -12.12 0 5 0 61 416.399 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.20 10.37 -17.19 0 7 0 82 397.475 4 ↓

Analogs

13010716
13010716

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Popular Name: N-benzyl-12-oxo-N-sec-butyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide N-benzyl-12-oxo-N-sec-butyl-7,8,…

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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) 3.79 12.47 -14.95 0 5 0 55 403.526 5 ↓

Analogs

13010714
13010714

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Popular Name: N-benzyl-12-oxo-N-sec-butyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide N-benzyl-12-oxo-N-sec-butyl-7,8,…

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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) 3.79 12.48 -15.48 0 5 0 55 403.526 5 ↓

Analogs

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Popular Name: N-(3-amino-3-oxo-propyl)-12-oxo-N-phenyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxam N-(3-amino-3-oxo-propyl)-12-oxo-…

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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) 2.36 7.32 -16.52 2 7 0 98 404.47 5 ↓

Analogs

23294932
23294932

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Popular Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quin N-(2,3-dihydro-1,4-benzodioxin-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) 2.09 9.94 -18.65 0 7 0 74 419.481 3 ↓

Analogs

25407912
25407912
25407916
25407916
25407923
25407923

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Popular Name: N-[(1-morpholinocyclohexyl)methyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxa N-[(1-morpholinocyclohexyl)methy…

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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 7.34 -14.7 1 7 0 76 438.572 4 ↓

Analogs

21708329
21708329

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Popular Name: 3-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b] 3-[4-[[3-(trifluoromethyl)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) 3.35 11.07 -14.18 0 6 0 58 484.522 4 ↓
Mid Mid (pH 6-8) 3.35 13.34 -58.38 1 6 1 60 485.53 4 ↓

Analogs

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Popular Name: 1-[(4-methoxyphenyl)methyl]-3-[(12-oxo7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carbonyl)am 1-[(4-methoxyphenyl)methyl]-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) 2.28 6.66 -21.17 3 9 0 114 435.484 5 ↓

Analogs

12902606
12902606

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Popular Name: N-(4-tert-butylphenyl)-2-[(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)oxy]acetamide N-(4-tert-butylphenyl)-2-[(12-ox…

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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) 4.79 11.69 -22.78 1 6 0 73 419.525 5 ↓

Analogs

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Popular Name: N-(2-fluorophenyl)-2-[(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)oxy]acetamide N-(2-fluorophenyl)-2-[(12-oxo-7,…

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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) 3.20 9.47 -20.73 1 6 0 73 381.407 4 ↓

Analogs

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Popular Name: 2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethoxy]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one 2-[2-(4-benzyl-1-piperidyl)-2-ox…

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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) 4.21 13.95 -22.07 0 6 0 64 445.563 5 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)oxy]a N-[(3R)-1,1-dioxothiolan-3-yl]-2…

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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) 0.90 4.66 -31.2 1 8 0 107 405.476 4 ↓

Analogs

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Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)oxy]a N-[(3S)-1,1-dioxothiolan-3-yl]-2…

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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) 0.90 4.67 -30.05 1 8 0 107 405.476 4 ↓

Analogs

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Popular Name: N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)o N-[3-(2-oxopyrrolidin-1-yl)propy…

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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) 1.41 8.43 -28.67 1 8 0 94 412.49 7 ↓

Analogs

13725334
13725334
13726519
13726519
13733371
13733371
13734398
13734398
13736011
13736011

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Popular Name: N-(2-diethylaminoethyl)-2-[(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)oxy]acetamid N-(2-diethylaminoethyl)-2-[(12-o…

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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) 2.17 9.33 -54.95 2 7 1 78 387.504 8 ↓

Analogs

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Popular Name: 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethoxy]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoli 2-[2-[4-(3-chlorophenyl)piperazi…

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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) 3.87 11.21 -22.65 0 7 0 68 466.969 4 ↓

Analogs

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Popular Name: 2-(2-oxo-2-pyrrolidin-1-yl-ethoxy)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one 2-(2-oxo-2-pyrrolidin-1-yl-ethox…

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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) 2.03 9.01 -22.28 0 6 0 64 341.411 3 ↓

Analogs

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Popular Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline- N-methyl-N-[(4-methylsulfanylphe…

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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) 3.02 11.76 -15.3 0 5 0 55 407.539 4 ↓

Analogs

14230071
14230071
14230074
14230074
14230077
14230077

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Popular Name: [(1R)-2-[[(3R)-1,1-dioxothiolan-3-yl]-ethyl-amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[[(3R)-1,1-dioxothiolan-…

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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) 2.00 8.7 -23.79 0 9 0 116 475.567 6 ↓

Analogs

14230074
14230074
14230077
14230077
14230067
14230067

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Popular Name: [(1R)-2-[[(3S)-1,1-dioxothiolan-3-yl]-ethyl-amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[[(3S)-1,1-dioxothiolan-…

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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) 2.00 8.72 -25.81 0 9 0 116 475.567 6 ↓

Analogs

14230077
14230077
14230067
14230067
14230071
14230071

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Popular Name: [(1S)-2-[[(3R)-1,1-dioxothiolan-3-yl]-ethyl-amino]-1-methyl-2-oxo-ethyl] [(1S)-2-[[(3R)-1,1-dioxothiolan-…

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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) 2.00 8.71 -23.81 0 9 0 116 475.567 6 ↓

Analogs

14230067
14230067
14230071
14230071
14230074
14230074

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Popular Name: [(1S)-2-[[(3S)-1,1-dioxothiolan-3-yl]-ethyl-amino]-1-methyl-2-oxo-ethyl] [(1S)-2-[[(3S)-1,1-dioxothiolan-…

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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) 2.00 8.71 -26.01 0 9 0 116 475.567 6 ↓

Analogs

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Popular Name: 3-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12 3-(3,4-dihydro-2H-1,5-benzothiaz…

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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) 3.87 11.88 -14.22 0 5 0 55 405.523 1 ↓

Analogs

14245159
14245159
3532291
3532291
3532292
3532292

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Popular Name: [(1R)-2-[(4-carbamoylphenyl)amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[(4-carbamoylphenyl)amin…

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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) 2.38 7.88 -20.53 3 9 0 133 448.479 6 ↓

Analogs

3532291
3532291
3532292
3532292
14245158
14245158

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Popular Name: [(1S)-2-[(4-carbamoylphenyl)amino]-1-methyl-2-oxo-ethyl] [(1S)-2-[(4-carbamoylphenyl)amin…

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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) 2.38 7.91 -20.52 3 9 0 133 448.479 6 ↓

Analogs

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Popular Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxam N-[4-(1,3-benzoxazol-2-yl)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) 4.82 9.68 -20.59 1 7 0 90 450.498 3 ↓

Analogs

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Popular Name: 12-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carbo 12-oxo-N-(3-pyrrolidin-1-ylquino…

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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) 3.66 10.82 -18.63 1 8 0 93 454.534 3 ↓

Analogs

26325172
26325172

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Popular Name: N-[4-(cyclopropanecarbonylamino)phenyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-ca N-[4-(cyclopropanecarbonylamino)…

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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) 3.16 9.39 -18.66 2 7 0 93 416.481 4 ↓

Analogs

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Popular Name: 3-[4-(4-nitrophenyl)piperazine-1-carbonyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one 3-[4-(4-nitrophenyl)piperazine-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) 2.74 11.58 -19.22 0 9 0 104 447.495 3 ↓

Analogs

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Popular Name: N'-[2-(4-chloro-3-methyl-phenoxy)acetyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-c N'-[2-(4-chloro-3-methyl-phenoxy…

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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) 3.23 9.4 -18.38 2 8 0 102 454.914 5 ↓

Analogs

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Popular Name: N'-[2-(2-cyanophenoxy)acetyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carbohydrazi N'-[2-(2-cyanophenoxy)acetyl]-12…

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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 8.7 -25.85 2 9 0 126 431.452 5 ↓

Analogs

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Popular Name: 12-oxo-N'-[2-(p-tolylsulfanyl)acetyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carbohydraz 12-oxo-N'-[2-(p-tolylsulfanyl)ac…

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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) 3.00 9.56 -16.93 2 7 0 93 436.537 5 ↓

Analogs

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Popular Name: N'-[2-(2-fluorophenyl)sulfanylacetyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carb N'-[2-(2-fluorophenyl)sulfanylac…

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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) 2.67 8.94 -19.94 2 7 0 93 440.5 5 ↓

Analogs

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Popular Name: N'-[2-(4-fluorophenoxy)acetyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carbohydraz N'-[2-(4-fluorophenoxy)acetyl]-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) 2.34 8.37 -18.84 2 8 0 102 424.432 5 ↓

Analogs

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Popular Name: N'-(4-ethoxy-3-methoxy-benzoyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carbohydra N'-(4-ethoxy-3-methoxy-benzoyl)-…

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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) 2.23 7.83 -17.4 2 9 0 112 450.495 6 ↓

Analogs

15939209
15939209

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Popular Name: N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-car N'-[(2R)-2-(4-fluorophenoxy)prop…

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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) 2.70 8.94 -17.81 2 8 0 102 438.459 5 ↓

Analogs

15939208
15939208

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Popular Name: N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-car N'-[(2S)-2-(4-fluorophenoxy)prop…

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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) 2.70 8.93 -17.82 2 8 0 102 438.459 5 ↓

Analogs

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Popular Name: N'-(2-bromobenzoyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carbohydrazide N'-(2-bromobenzoyl)-12-oxo-7,8,9…

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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) 2.97 8.3 -15.86 2 7 0 93 455.312 3 ↓

Analogs

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Popular Name: N'-(4-methoxybenzoyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carbohydrazide N'-(4-methoxybenzoyl)-12-oxo-7,8…

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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) 2.26 7.01 -15.61 2 8 0 102 406.442 4 ↓

Analogs

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Popular Name: N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3- N'-[2-(2,5-dichlorophenyl)sulfan…

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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) 3.84 9.87 -16.92 2 7 0 93 491.4 5 ↓

Analogs

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Popular Name: N'-(2,5-dichlorobenzoyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carbohydrazide N'-(2,5-dichlorobenzoyl)-12-oxo-…

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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) 3.49 8.71 -14.39 2 7 0 93 445.306 3 ↓

Analogs

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Popular Name: N'-(4-isopentyloxybenzoyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carbohydrazide N'-(4-isopentyloxybenzoyl)-12-ox…

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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) 3.92 10.05 -14.88 2 8 0 102 462.55 7 ↓

Analogs

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Popular Name: N'-(3,4-dimethoxybenzoyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carbohydrazide N'-(3,4-dimethoxybenzoyl)-12-oxo…

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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) 1.85 6.92 -17.59 2 9 0 112 436.468 5 ↓

Analogs

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Popular Name: N'-(1H-indazole-3-carbonyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carbohydrazide N'-(1H-indazole-3-carbonyl)-12-o…

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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) 2.13 6.4 -17.29 3 9 0 122 416.441 3 ↓

Parameters Provided:

ring.id = 4996
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 = 4996 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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