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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(E)-(3-bromophenyl)iminomethyl]phenol 3-[(E)-(3-bromophenyl)iminomethy…

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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) 3.75 -1.53 -5.61 1 2 0 32 276.133 2 ↓

Analogs

13126481
13126481

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Popular Name: 4-amino-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol 4-amino-2-(5-ethyl-1,3-benzoxazo…

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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) 3.32 2.27 -10.34 3 4 0 72 254.289 2 ↓

Analogs

5360849
5360849
26508187
26508187
34978987
34978987
40164182
40164182

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Popular Name: 2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]phenol 2-[3-(2-hydroxyphenyl)-1H-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) 3.09 3.2 -11.51 3 5 0 82 253.261 2 ↓
Hi High (pH 8-9.5) 3.09 3.97 -55.26 2 5 -1 85 252.253 2 ↓
Hi High (pH 8-9.5) 3.09 4.74 -115.74 1 5 -2 88 251.245 2 ↓

Analogs

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Popular Name: 4-[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one 4-[(5-hydroxy-3-methyl-1-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) 2.63 8.14 -21.58 1 6 0 73 358.401 3 ↓

Analogs

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Popular Name: 3-(1H-indol-3-yl)isoxazole-4-carboxylic-acid-ethyl-ester 3-(1H-indol-3-yl)isoxazole-4-car…

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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 6.67 -11.4 1 5 0 68 256.261 4 ↓

Analogs

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Popular Name: (6E)-6-[4-methyl-6-(p-tolylamino)-3H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one (6E)-6-[4-methyl-6-(p-tolylamino…

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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 8.68 -9.42 2 4 0 58 291.354 3 ↓

Analogs

526434
526434

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Popular Name: (3,4-dichlorophenyl)methylBLAHone (3,4-dichlorophenyl)methylBLAHone

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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) 3.55 9.3 -12.01 0 3 0 25 349.261 2 ↓

Analogs

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Popular Name: (2-chloro-6-fluoro-phenyl)methylBLAHone (2-chloro-6-fluoro-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) 3.01 8.57 -14.41 0 3 0 25 332.806 2 ↓

Analogs

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Popular Name: (2,5-difluorophenyl)methylBLAHone (2,5-difluorophenyl)methylBLAHone

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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) 2.52 8.44 -14.65 0 3 0 25 316.351 2 ↓

Analogs

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Popular Name: [2,7]naphthyridine-1,3,6,8-tetrol [2,7]naphthyridine-1,3,6,8-tetrol

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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) 1.01 -11.99 -13.58 4 6 0 107 194.146 0 ↓

Analogs

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Popular Name: BRD-K49308316-001-01-2 BRD-K49308316-001-01-2

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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) 1.48 3.55 -14.58 0 6 0 70 274.324 5 ↓

Analogs

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Popular Name: 1-Pyrrolidineacetamide, N-((dimethylamino)methylene)-2-oxo-; BRN 5740433; LS-137038; N,N-Dimethyl-N'-(pyrrolidon-2-yl-1-acetyl)formamidine; N-((Dimethylamino)methylene)-2-oxo-1-pyrrolidineacetamide 1-Pyrrolidineacetamide, N-((dime…

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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) -0.73 3.69 -15.47 0 5 0 53 197.238 3 ↓

Analogs

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Popular Name: 2-(1,3-benzothiazol-2-yl)-4-bromo-phenol 2-(1,3-benzothiazol-2-yl)-4-brom…

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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) 4.81 5.74 -8.84 1 2 0 33 306.184 1 ↓

Analogs

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Popular Name: 2-(4-bromophenyl)-2-hydroxyimino-acetaldehyde 2-(4-bromophenyl)-2-hydroxyimino…

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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 -2.29 -6.97 2 4 0 65 243.06 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,3-benzothiazol-2-yl)-4-chloro-phenol 2-(1,3-benzothiazol-2-yl)-4-chlo…

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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) 4.68 5.63 -8.92 1 2 0 33 261.733 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: c1cc(ccc1/C=C(\C#N)/c2nc(cs2)c3ccc(cc3)Cl)O c1cc(ccc1/C=C(\C#N)/c2nc(cs2)c3c…

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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) 4.32 -0.14 -14.69 1 3 0 56 338.819 3 ↓

Analogs

3995816
3995816

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Popular Name: (Z)-2-[4-(3,4-dichlorophenyl)thiazol-2-yl]-3-(4-hydroxyphenyl)prop-2-enenitrile (Z)-2-[4-(3,4-dichlorophenyl)thi…

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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 8.61 -10.88 1 3 0 57 373.264 3 ↓

Analogs

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Popular Name: 2-(4-methoxy-6-methyl-2-pyrimidinyl)phenol 2-(4-methoxy-6-methyl-2-pyrimidi…

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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) 2.48 2.75 -7.87 1 4 0 55 216.24 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[4-(benzylamino)-6-methyl-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one (6Z)-6-[4-(benzylamino)-6-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) 3.68 7.53 -8.92 2 4 0 58 291.354 4 ↓
Hi High (pH 8-9.5) 3.68 8.3 -51.14 1 4 -1 61 290.346 4 ↓
Mid Mid (pH 6-8) 3.68 7.87 -29.1 3 4 1 59 292.362 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-chloro-6-phenyl-pyrimidin-4-yl)phenol 2-(2-chloro-6-phenyl-pyrimidin-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) 4.31 -1.06 -9.93 1 3 0 46 282.73 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6E)-6-(4-pyrrolidin-1-yl-1H-quinazolin-2-ylidene)cyclohexa-2,4-dien-1-one (6E)-6-(4-pyrrolidin-1-yl-1H-qui…

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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) 4.01 8.11 -12.7 1 4 0 49 291.354 2 ↓
Mid Mid (pH 6-8) 3.56 10.41 -31.58 3 4 0 51 293.37 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[4-[(4-fluorophenyl)methoxy]-6-methyl-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one (6Z)-6-[4-[(4-fluorophenyl)metho…

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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) 4.24 6.81 -8.23 1 4 0 55 310.328 4 ↓

Analogs

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Popular Name: 4-[2-(2-hydroxyphenyl)-6-methyl-pyrimidin-4-yl]oxybenzonitrile 4-[2-(2-hydroxyphenyl)-6-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) 3.93 1 -10.14 1 5 0 79 303.321 3 ↓

Analogs

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Popular Name: (6Z)-6-[4-[(4-bromophenyl)amino]-6-methyl-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one (6Z)-6-[4-[(4-bromophenyl)amino]…

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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 8.58 -8.8 2 4 0 58 356.223 3 ↓

Analogs

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Popular Name: (6E)-3-bromo-6-(5-butyl-1H-pyridin-2-ylidene)cyclohexa-2,4-dien-1-one (6E)-3-bromo-6-(5-butyl-1H-pyrid…

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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) 4.97 7.6 -5.96 1 2 0 33 306.203 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6E)-6-(5-butyl-1H-pyridin-2-ylidene)-3-methyl-cyclohexa-2,4-dien-1-one (6E)-6-(5-butyl-1H-pyridin-2-yli…

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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) 4.61 7.63 -6.8 1 2 0 33 241.334 4 ↓
Hi High (pH 8-9.5) 4.61 8.41 -52.7 0 2 -1 36 240.326 4 ↓
Lo Low (pH 4.5-6) 4.61 8 -29.79 2 2 1 34 242.342 4 ↓

Analogs

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Popular Name: N-ethoxy-6,6-dimethyl-3-propyl-5,7-dihydro-2H-indazol-4-imine N-ethoxy-6,6-dimethyl-3-propyl-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) 3.49 6.48 -6.31 1 4 0 50 249.358 4 ↓
Mid Mid (pH 6-8) 3.49 6.56 -8.62 1 4 0 50 249.358 4 ↓
Mid Mid (pH 6-8) 3.49 6.59 -5.79 1 4 0 50 249.358 4 ↓

Analogs

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Popular Name: N,N-dimethyl-N'-(2-phenylbenzotriazol-5-yl)formamidine N,N-dimethyl-N'-(2-phenylbenzotr…

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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) 2.56 8.12 -13.55 0 5 0 46 265.32 3 ↓

Analogs

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Popular Name: N'-(5,7-dibromo-2,1,3-benzoxadiazol-4-yl)-N,N-dimethyl-formamidine N'-(5,7-dibromo-2,1,3-benzoxadia…

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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) 3.30 4.98 -8.27 0 5 0 55 347.998 2 ↓

Analogs

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Popular Name: 7-phenyl-6H-[1,2,5]oxadiazolo[3,4-e]indole 7-phenyl-6H-[1,2,5]oxadiazolo[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) 3.75 6.41 -12.61 1 4 0 55 235.246 1 ↓

Analogs

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Popular Name: 5,10-dihydro-4H-[1,2,5]oxadiazolo[3,4-a]carbazole 5,10-dihydro-4H-[1,2,5]oxadiazol…

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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) 2.56 0.04 -9.92 1 4 0 55 211.224 0 ↓

Analogs

5211528
5211528
5211529
5211529

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2,3,4,7,8,9,10-octahydrobenzo[c]cinnolin-1-one oxime 1,2,3,4,7,8,9,10-octahydrobenzo[…

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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) 2.14 3.74 -7.46 1 4 0 58 217.272 0 ↓

Analogs

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Popular Name: 2-(2-Hydroxyphenyl)benzothiazole 2-(2-Hydroxyphenyl)benzothiazole

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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 5.28 -9.5 1 2 0 33 227.288 1 ↓
Hi High (pH 8-9.5) 4.02 6.05 -52.84 0 2 -1 36 226.28 1 ↓

Analogs

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Popular Name: 5-amino-2-(6-methyl-1,3-benzoxazol-2-yl)phenol 5-amino-2-(6-methyl-1,3-benzoxaz…

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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) 2.86 1.52 -10.83 3 4 0 72 240.262 1 ↓
Hi High (pH 8-9.5) 2.40 3 -9.45 4 4 0 75 241.27 0 ↓
Lo Low (pH 4.5-6) 2.40 -4.28 -55.8 4 4 1 73 241.27 0 ↓

Analogs

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Popular Name: 5-Amino-2-benzooxazol-2-yl-phenol 5-Amino-2-benzooxazol-2-yl-phenol

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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 1.32 -11.4 3 4 0 72 226.235 1 ↓
Lo Low (pH 4.5-6) 1.98 -4.55 -56.4 4 4 1 73 227.243 0 ↓

Analogs

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Popular Name: acetic-acid-[(1R,2S)-2-phenylcyclopropyl]methyl-ester acetic-acid-[(1R,2S)-2-phenylcyc…

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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) 2.59 2.33 -6.93 0 2 0 26 190.242 4 ↓

Analogs

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Popular Name: acetic-acid-[(1S,2S)-2-phenylcyclopropyl]methyl-ester acetic-acid-[(1S,2S)-2-phenylcyc…

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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) 2.59 8.24 -6.27 0 2 0 26 190.242 4 ↓

Analogs

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Popular Name: 2-(1H-benzo[d]imidazol-2-yl)phenol 2-(1H-benzo[d]imidazol-2-yl)phenol

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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) 3.28 4.61 -10.37 2 3 0 49 210.236 1 ↓

Analogs

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Popular Name: c1cc(ccc1/C=C(\C#N)/c2nc(cs2)C3CC3)O c1cc(ccc1/C=C(\C#N)/c2nc(cs2)C3C…

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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) 2.56 -0.57 -12.97 1 3 0 56 268.341 3 ↓

Analogs

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Popular Name: ethyl 7-(hydroxyimino)-2-(pentanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate ethyl 7-(hydroxyimino)-2-(pentan…

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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) 3.56 6.02 -12.58 2 6 0 88 338.429 7 ↓
Ref Reference (pH 7) 3.56 6 -11.35 2 6 0 88 338.429 7 ↓

Analogs

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Popular Name: 6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-one oxime 6-chloro-2,3,4,9-tetrahydro-1H-c…

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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) 3.40 4.42 -5.67 2 3 0 48 234.686 0 ↓
Ref Reference (pH 7) 3.40 4.67 -6.63 2 3 0 48 234.686 0 ↓

Analogs

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Popular Name: 2-(4-ethoxy-6-methyl-2-pyrimidinyl)phenol 2-(4-ethoxy-6-methyl-2-pyrimidin…

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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) 2.86 3.7 -7.69 1 4 0 55 230.267 3 ↓

Analogs

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Popular Name: 2-[4-(isopropylamino)quinazolin-2-yl]phenol 2-[4-(isopropylamino)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) 4.04 7.29 -10.98 2 4 0 58 279.343 3 ↓
Hi High (pH 8-9.5) 3.76 8.35 -16.58 4 4 0 66 281.359 1 ↓
Lo Low (pH 4.5-6) 4.04 7.63 -23.96 3 4 1 59 280.351 3 ↓

Analogs

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Popular Name: 2-[4-(dimethylamino)quinazolin-2-yl]phenol 2-[4-(dimethylamino)quinazolin-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) 3.61 7.36 -10.73 1 4 0 49 265.316 2 ↓
Lo Low (pH 4.5-6) 3.15 8.42 -43.68 2 4 1 50 266.324 1 ↓

Analogs

4010515
4010515
4010516
4010516
4010517
4010517
4343991
4343991
4343993
4343993

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Popular Name: methyl 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) 1.58 1.91 -20.61 1 6 0 89 416.514 2 ↓

Analogs

4010516
4010516
4010517
4010517
4343991
4343991
4343993
4343993
16513115
16513115

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Popular Name: methyl 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) 1.58 1.8 -14.94 1 6 0 89 416.514 2 ↓

Analogs

4010517
4010517
4343991
4343991
4343993
4343993
16513115
16513115
16513120
16513120

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Popular Name: Methyl 11-hydroxy-10,13-dimethyl-3-oxo-17-spiro(-2-oxodihydrofuran-5-yl)-2,3,6,7,8,10,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-7-carboxylate Methyl 11-hydroxy-10,13-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) 1.58 1.72 -13.85 1 6 0 89 416.514 2 ↓

Analogs

4343991
4343991
4343993
4343993
16513115
16513115
16513120
16513120
16513124
16513124

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Popular Name: Methyl 11-hydroxy-10,13-dimethyl-3-oxo-17-spiro(-2-oxodihydrofuran-5-yl)-2,3,6,7,8,10,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-7-carboxylate Methyl 11-hydroxy-10,13-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) 1.58 1.74 -17.52 1 6 0 89 416.514 2 ↓

Analogs

343287
343287

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Popular Name: 2-[4-(2,4-dimethylanilino)quinazolin-2-yl]phenol 2-[4-(2,4-dimethylanilino)quinaz…

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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) 6.33 11.2 -11.67 2 4 0 58 341.414 3 ↓

Analogs

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Popular Name: 2-[4-(3-fluoroanilino)quinazolin-2-yl]phenol 2-[4-(3-fluoroanilino)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) 5.64 9.65 -15.65 2 4 0 58 331.35 3 ↓
Hi High (pH 8-9.5) 5.64 10.44 -58.97 1 4 -1 61 330.342 3 ↓

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