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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: BRD-K55106662-001-01-1 BRD-K55106662-001-01-1

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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) 5.36 1.43 -12.03 0 4 0 46 443.494 6 ↓

Analogs

12217753
12217753
12217754
12217754

Draw Identity 99% 90% 80% 70%

Popular Name: [5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-[(3R)-3-dimethylaminopy [5-cyclopropyl-1-(8-methoxy-5,6-…

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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) 1.97 0.97 -51.66 1 8 1 78 459.574 5 ↓

Analogs

12217753
12217753
12217754
12217754

Draw Identity 99% 90% 80% 70%

Popular Name: [5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-[(3S)-3-dimethylaminopy [5-cyclopropyl-1-(8-methoxy-5,6-…

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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) 1.97 0.97 -51.69 1 8 1 78 459.574 5 ↓

Analogs

14996698
14996698
15001879
15001879
15070206
15070206
20293567
20293567
55074725
55074725

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carbonyl]piperazine-1-ca 4-[5-cyclopropyl-1-(8-methoxy-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) 1.10 0.09 -21.31 0 9 0 93 458.522 4 ↓

Analogs

11838882
11838882

Draw Identity 99% 90% 80% 70%

Popular Name: [1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-pyrazol-4-yl]-[(3R)-3-methyl-1-piperidyl]methanone [1-(5,6-dihydrobenzo[h]quinazoli…

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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) 2.57 0.98 -16.54 0 6 0 64 387.487 2 ↓

Analogs

11838880
11838880

Draw Identity 99% 90% 80% 70%

Popular Name: [1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-pyrazol-4-yl]-[(3S)-3-methyl-1-piperidyl]methanone [1-(5,6-dihydrobenzo[h]quinazoli…

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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) 2.57 0.98 -16.57 0 6 0 64 387.487 2 ↓

Analogs

11839412
11839412

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Popular Name: 5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(3R)-tetrahydrofuran-3-yl]pyrazole 5-cyclopropyl-1-(8-methoxy-5,6-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) 2.15 -1.59 -17.42 1 8 0 91 431.496 5 ↓

Analogs

11839411
11839411

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Popular Name: 5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(3S)-tetrahydrofuran-3-yl]pyrazole 5-cyclopropyl-1-(8-methoxy-5,6-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) 2.15 -1.64 -17.71 1 8 0 91 431.496 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-dimethylamino-2,2-dimethyl-propyl)-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-py N-(3-dimethylamino-2,2-dimethyl-…

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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) 2.87 1.88 -49.92 2 8 1 86 449.579 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(4-pyridylmethyl)pyrazole-4-carboxamide 5-cyclopropyl-1-(5,6-dihydrobenz…

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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) 2.12 -1.07 -17.75 1 7 0 86 422.492 5 ↓
Lo Low (pH 4.5-6) 2.12 -0.96 -48.82 2 7 1 87 423.5 5 ↓

Analogs

14958209
14958209
15008899
15008899
20272118
20272118
55344674
55344674
11784045
11784045

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Popular Name: N-(2-diethylaminoethyl)-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-pyrazole-4-carboxa N-(2-diethylaminoethyl)-1-(9-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) 2.46 0.64 -51.69 2 8 1 86 435.552 8 ↓

Analogs

15003555
15003555

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Popular Name: N-(2-diethylaminoethyl)-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(2-furyl)pyrazole-4-carboxamide N-(2-diethylaminoethyl)-1-(5,6-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) 3.02 1.8 -52.52 2 8 1 90 457.558 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-pyrazole-4-carboxamide N,N-diethyl-1-(8-methoxy-5,6-dih…

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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) 2.21 2.02 -17 0 7 0 73 391.475 5 ↓

Analogs

19840964
19840964
20254974
20254974

Draw Identity 99% 90% 80% 70%

Popular Name: [5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-[4-(2-methoxyethyl)pipe [5-cyclopropyl-1-(8-methoxy-5,6-…

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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) 1.70 0.38 -49.5 1 9 1 87 489.6 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-pyrazole-4-carboxamide N-allyl-1-(5,6-dihydrobenzo[h]qu…

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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) 2.29 0.18 -16.73 1 6 0 73 345.406 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(4-methoxyphenyl)methyl]-5-methyl-pyrazole-4-carboxamide 1-(5,6-dihydrobenzo[h]quinazolin…

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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) 3.10 -0.09 -17.79 1 7 0 82 425.492 5 ↓

Analogs

11995181
11995181

Draw Identity 99% 90% 80% 70%

Popular Name: 5-cyclopropyl-N-[(2R)-2-hydroxybutyl]-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-car 5-cyclopropyl-N-[(2R)-2-hydroxyb…

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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 -2.81 -19.85 2 8 0 102 433.512 7 ↓

Analogs

11995180
11995180

Draw Identity 99% 90% 80% 70%

Popular Name: 5-cyclopropyl-N-[(2S)-2-hydroxybutyl]-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-car 5-cyclopropyl-N-[(2S)-2-hydroxyb…

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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 -2.88 -19.92 2 8 0 102 433.512 7 ↓

Analogs

14986004
14986004

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-isopropyl-N-(2-methoxyethyl)-5-methyl-pyrazole-4-carboxamid 1-(5,6-dihydrobenzo[h]quinazolin…

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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) 2.08 1.37 -16.32 0 7 0 73 405.502 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-[2-(3-pyridyl)ethyl]pyrazole-4-carboxamide 1-(5,6-dihydrobenzo[h]quinazolin…

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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) 2.22 -0.77 -20.79 1 7 0 86 410.481 5 ↓

Analogs

11995969
11995969

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Popular Name: 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-[(1R)-1-(2-methylthiazol-4-yl)ethyl]pyrazole-4-car 1-(5,6-dihydrobenzo[h]quinazolin…

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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 -0.81 -17.47 1 7 0 86 430.537 4 ↓

Analogs

11995968
11995968

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Popular Name: 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-[(1S)-1-(2-methylthiazol-4-yl)ethyl]pyrazole-4-car 1-(5,6-dihydrobenzo[h]quinazolin…

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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 -0.81 -17.48 1 7 0 86 430.537 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-pyridylmethyl)pyrazole-4-carboxamide 1-(5,6-dihydrobenzo[h]quinazolin…

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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 -1.08 -18.46 1 7 0 86 396.454 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-cyclopropyl-1-(5,6-dihydrobenzo N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-oc…

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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) 3.71 -0.42 -45.23 2 7 1 77 483.64 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyridylmethyl)pyrazole-4-carboxamide 5-cyclopropyl-1-(5,6-dihydrobenz…

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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) 2.24 -1.27 -18.22 1 7 0 86 422.492 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N,5-dimethyl-N-[2-(2-pyridyl)ethyl]pyrazole-4-carbo 1-(8-methoxy-5,6-dihydrobenzo[h]…

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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 0.91 -18.85 0 8 0 86 454.534 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-cyclohexylpiperazin-1-yl)-[5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]metha (4-cyclohexylpiperazin-1-yl)-[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) 3.58 0.36 -50.94 1 7 1 68 483.64 4 ↓

Analogs

12035241
12035241
12039696
12039696
14961255
14961255
14988044
14988044
14999145
14999145

Draw Identity 99% 90% 80% 70%

Popular Name: 5-cyclopropyl-N-(2-diethylaminoethyl)-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-pyra 5-cyclopropyl-N-(2-diethylaminoe…

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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) 2.60 2.34 -47.95 1 8 1 78 475.617 9 ↓

Analogs

12003595
12003595

Draw Identity 99% 90% 80% 70%

Popular Name: [1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-pyrazol-4-yl]-[(2R)-2-ethyl-1-piperidyl]methanone [1-(5,6-dihydrobenzo[h]quinazoli…

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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) 3.19 1.05 -15.84 0 6 0 64 401.514 3 ↓

Analogs

12003591
12003591

Draw Identity 99% 90% 80% 70%

Popular Name: [1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-pyrazol-4-yl]-[(2S)-2-ethyl-1-piperidyl]methanone [1-(5,6-dihydrobenzo[h]quinazoli…

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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) 3.19 1.02 -15.87 0 6 0 64 401.514 3 ↓

Analogs

12021879
12021879

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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) 2.43 1.75 -18.31 0 8 0 90 445.523 5 ↓

Analogs

12021869
12021869

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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) 2.43 1.73 -18.34 0 8 0 90 445.523 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-cyclopropyl-N-(2-hydroxy-1,1-dimethyl-ethyl)-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyraz 5-cyclopropyl-N-(2-hydroxy-1,1-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) 2.22 -2.25 -20.92 2 8 0 102 433.512 6 ↓

Analogs

12025715
12025715

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,5-dimethyl-pyrazole-4-carb 1-(5,6-dihydrobenzo[h]quinazolin…

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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) 1.05 -0.56 -18.47 0 8 0 82 419.485 4 ↓

Analogs

12025711
12025711

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]-N,5-dimethyl-pyrazole-4-carb 1-(5,6-dihydrobenzo[h]quinazolin…

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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) 1.05 -0.51 -20.4 0 8 0 82 419.485 4 ↓

Analogs

12025935
12025935

Draw Identity 99% 90% 80% 70%

Popular Name: 5-cyclopropyl-N-[(1S)-1-isoxazol-3-ylethyl]-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methy 5-cyclopropyl-N-[(1S)-1-isoxazol…

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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) 2.50 2.43 -22.25 0 9 0 99 470.533 6 ↓

Analogs

12025929
12025929

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Popular Name: 5-cyclopropyl-N-[(1R)-1-isoxazol-3-ylethyl]-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methy 5-cyclopropyl-N-[(1R)-1-isoxazol…

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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) 2.50 2.5 -22.68 0 9 0 99 470.533 6 ↓

Analogs

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Popular Name: 5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(3-methylisoxazol-5-yl)methyl]pyra 5-cyclopropyl-1-(9-methoxy-5,6-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) 2.39 0.49 -21.41 1 9 0 108 456.506 6 ↓

Analogs

12027917
12027917

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Popular Name: 5-cyclopropyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-y 5-cyclopropyl-N-[[(2R)-1-ethylpy…

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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) 2.84 -0.04 -48.78 2 8 1 86 473.601 7 ↓

Analogs

12027914
12027914

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Popular Name: 5-cyclopropyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-y 5-cyclopropyl-N-[[(2S)-1-ethylpy…

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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) 2.84 -0.19 -49.5 2 8 1 86 473.601 7 ↓

Analogs

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Popular Name: N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(8-methoxy-5,6-dihydrobenzo[h]q N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-oc…

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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) 3.38 -0.2 -46.2 2 8 1 86 487.628 5 ↓

Analogs

12028534
12028534

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Popular Name: 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-5-methyl-pyrazole-4-carboxam 1-(5,6-dihydrobenzo[h]quinazolin…

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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) 1.28 -2.46 -18.11 1 8 0 91 405.458 4 ↓

Analogs

12028531
12028531

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Popular Name: 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]-5-methyl-pyrazole-4-carboxam 1-(5,6-dihydrobenzo[h]quinazolin…

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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) 1.28 -2.39 -18.01 1 8 0 91 405.458 4 ↓

Analogs

12029670
12029670

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Popular Name: 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(2-furyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazole 1-(5,6-dihydrobenzo[h]quinazolin…

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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) 2.93 1.23 -50.12 2 8 1 90 469.569 6 ↓

Analogs

12029665
12029665

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Popular Name: 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(2-furyl)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyrazole 1-(5,6-dihydrobenzo[h]quinazolin…

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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) 2.93 0.93 -54.11 2 8 1 90 469.569 6 ↓

Analogs

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Popular Name: 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(6-methyl-2-pyridyl)methyl]pyrazole-4-carbox 5-cyclopropyl-1-(5,6-dihydrobenz…

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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) 2.29 -1.11 -18.26 1 7 0 86 436.519 5 ↓

Analogs

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Popular Name: 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-[2-(2-pyridyl)ethyl]pyrazole-4-carbo 5-cyclopropyl-1-(5,6-dihydrobenz…

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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 0.44 -18.3 0 7 0 77 450.546 6 ↓

Analogs

12218664
12218664
14996201
14996201
15002051
15002051
20271624
20271624

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Popular Name: 5-cyclopropyl-N-(2-hydroxyethyl)-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-pyrazole- 5-cyclopropyl-N-(2-hydroxyethyl)…

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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) 1.19 -1.3 -20.69 1 8 0 93 419.485 6 ↓

Analogs

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Popular Name: 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-[(6-methyl-2-pyridyl)methyl]pyrazole-4-carboxamide 1-(5,6-dihydrobenzo[h]quinazolin…

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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) 1.93 -0.92 -18.55 1 7 0 86 410.481 4 ↓

Analogs

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Popular Name: 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-[3-(4-pyridyl)propyl]pyrazole-4-carboxamide 1-(5,6-dihydrobenzo[h]quinazolin…

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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) 2.68 -0.63 -20.07 1 7 0 86 424.508 6 ↓

Parameters Provided:

ring.id = 4724
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 = 4724 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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