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

Analogs

4525761
4525761

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Popular Name: 17-(5-chloro-2-hydroxyphenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione 17-(5-chloro-2-hydroxyphenyl)-17…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.43 10.3 -9.86 1 4 0 58 401.849 1 ↓
Hi High (pH 8-9.5) 4.43 10.95 -45.56 0 4 -1 60 400.841 1 ↓

Analogs

5883463
5883463
5883468
5883468

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Popular Name: dibromo-phenyl-BLAHdione dibromo-phenyl-BLAHdione

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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) 5.63 13 -8.77 0 3 0 37 509.197 1 ↓

Analogs

3666358
3666358
3666359
3666359

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Popular Name: [2-(dioxoBLAHyl)phenyl] [2-(dioxoBLAHyl)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) 5.78 17.4 -15.76 0 5 0 64 465.549 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-bromo-2-methyl-phenyl)BLAHdione (4-bromo-2-methyl-phenyl)BLAHdione

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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) 5.23 13.97 -9.09 0 3 0 37 444.328 1 ↓

Analogs

1225942
1225942
1225943
1225943

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Popular Name: (3-chlorophenyl)BLAHdione (3-chlorophenyl)BLAHdione

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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) 4.69 12.79 -9.95 0 3 0 37 385.85 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-aminophenyl)BLAHdione (3-aminophenyl)BLAHdione

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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) 3.09 10.16 -11.11 2 4 0 63 366.42 1 ↓

Analogs

5091632
5091632

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Popular Name: (2-methyl-4-nitro-phenyl)BLAHdione (2-methyl-4-nitro-phenyl)BLAHdione

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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) 4.38 14.06 -10.68 0 6 0 83 410.429 2 ↓

Analogs

3190478
3190478
3190485
3190485

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,8-dimethyl-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid 4-(1,8-dimethyl-16,18-dioxo-17-a…

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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) 4.84 2.13 -53.92 0 5 -1 78 422.46 2 ↓

Analogs

705204
705204

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Popular Name: dimethyl-(3-nitrophenyl)BLAHdione dimethyl-(3-nitrophenyl)BLAHdione

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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) 4.87 13.62 -11.43 0 6 0 83 424.456 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl]-N-ethylbenzenecarboxamide 4-[16,18-dioxo-17-azapentacyclo[…

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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) 3.61 11.32 -11.63 1 5 0 66 422.484 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl]-N-ethylbenzenecarboxamide 4-[16,18-dioxo-17-azapentacyclo[…

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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) 3.61 11.35 -11.97 1 5 0 66 422.484 3 ↓

Analogs

8781810
8781810

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Popular Name: 4-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl]-N-isopropylbenzenecarboxamide 4-[16,18-dioxo-17-azapentacyclo[…

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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) 3.91 12.12 -12.05 1 5 0 66 436.511 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 3-(1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate ethyl 3-(1,8-dibromo-16,18-dioxo…

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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) 6.15 1.68 -10.55 0 5 0 63 581.26 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 3-(1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate ethyl 3-(1,8-dibromo-16,18-dioxo…

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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) 6.15 1.71 -10.75 0 5 0 63 581.26 4 ↓

Analogs

2985987
2985987
2985988
2985988
2985989
2985989

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Popular Name: [4-chloro-3-(trifluoromethyl)phenyl]-ethyl-BLAHquinone [4-chloro-3-(trifluoromethyl)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) 6.49 4.33 -6.19 0 3 0 37 481.901 3 ↓

Analogs

2985988
2985988
2985989
2985989
2985986
2985986

Draw Identity 99% 90% 80% 70%

Popular Name: [4-chloro-3-(trifluoromethyl)phenyl]-ethyl-BLAHquinone [4-chloro-3-(trifluoromethyl)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) 6.49 4.28 -8.06 0 3 0 37 481.901 3 ↓

Analogs

2985989
2985989
2985986
2985986

Draw Identity 99% 90% 80% 70%

Popular Name: [4-chloro-3-(trifluoromethyl)phenyl]-ethyl-BLAHquinone [4-chloro-3-(trifluoromethyl)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) 6.49 4.32 -8.23 0 3 0 37 481.901 3 ↓

Analogs

2985986
2985986

Draw Identity 99% 90% 80% 70%

Popular Name: [4-chloro-3-(trifluoromethyl)phenyl]-ethyl-BLAHquinone [4-chloro-3-(trifluoromethyl)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) 6.49 4.35 -6.1 0 3 0 37 481.901 3 ↓