UCSF

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Analogs

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Popular Name: 4-(1-cyclopropylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine 4-(1-cyclopropylbenzimidazol-2-y…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.92 5.74 -7.69 2 6 0 83 241.254 2 ↓
Lo Low (pH 4.5-6) 1.92 5.47 -29.19 3 6 1 84 242.262 2 ↓

Analogs

43063829
43063829

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Popular Name: (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-hydroxyimino-6-methyl-indolin-2-one (3Z)-1-[(6-fluoro-4H-1,3-benzodi…

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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 7.04 -14.11 1 6 0 73 342.326 2 ↓
Hi High (pH 8-9.5) 3.19 8.17 -65.95 0 6 -1 76 341.318 2 ↓

Analogs

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Popular Name: 5-(4-propyltriazol-1-yl)-1H-indazole 5-(4-propyltriazol-1-yl)-1H-inda…

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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) 2.30 5.2 -11.72 1 5 0 59 227.271 3 ↓

Analogs

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Popular Name: N-(3,5-difluorophenyl)-4-pyrazolo[5,1-f]pyridazin-3-yl-pyrimidin-2-amine N-(3,5-difluorophenyl)-4-pyrazol…

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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 9.05 -15.17 1 6 0 68 324.294 3 ↓

Analogs

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Popular Name: N-[5-[6-(methylamino)pyrazin-2-yl]-2-oxo-1H-pyridin-3-yl]-4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidi N-[5-[6-(methylamino)pyrazin-2-y…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.22 8.68 -52.95 4 9 1 107 474.589 7 ↓

Analogs

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Popular Name: (4Z)-4-[(2-chlorophenyl)hydrazono]-3-phenyl-1H-pyrazol-5-one (4Z)-4-[(2-chlorophenyl)hydrazon…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.46 6.1 -9.15 2 5 0 70 298.733 3 ↓
Hi High (pH 8-9.5) 3.92 4.56 -53.43 1 5 -1 73 297.725 3 ↓

Analogs

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Popular Name: N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxy-quinazolin-4-amine N-(5-methyl-1H-pyrazol-3-yl)-2-p…

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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) 4.45 7.66 -13.1 2 6 0 76 317.352 4 ↓

Analogs

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Popular Name: 7,8-dimethoxy-5-methyl-benzo[e]isoindole-1,3-dione 7,8-dimethoxy-5-methyl-benzo[e]i…

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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) 2.30 3.36 -10.15 1 5 0 68 271.272 2 ↓

Analogs

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Popular Name: 4-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]amino]cyclohexanol 4-[[3-[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) 3.51 8.26 -15.52 2 6 0 75 377.37 4 ↓

Analogs

3913850
3913850
3932843
3932843
4095791
4095791
12501465
12501465
33790481
33790481

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Popular Name: staurosporine staurosporine

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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) 3.89 8.49 -39.52 3 7 1 74 467.549 2 ↓
Hi High (pH 8-9.5) 3.89 8.85 -16.32 2 7 0 69 466.541 2 ↓

Analogs

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Popular Name: AR-A014418 AR-A014418

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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) 2.04 4.7 -14.15 2 8 0 109 308.319 5 ↓

Analogs

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Popular Name: 5-(3-benzylisoxazol-5-yl)-1H-indazol-3-amine 5-(3-benzylisoxazol-5-yl)-1H-ind…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.81 7.28 -38.24 4 5 1 82 291.334 3 ↓
Mid Mid (pH 6-8) 3.81 7.15 -12.84 3 5 0 81 290.326 3 ↓

Analogs

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Popular Name: SB 415286 SB 415286

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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 3.25 -14.88 3 8 0 128 359.725 4 ↓
Hi High (pH 8-9.5) 3.66 4.01 -47.82 2 8 -1 131 358.717 4 ↓
Hi High (pH 8-9.5) 0.90 4.58 -93.91 7 8 2 126 405.506 4 ↓

Analogs

38399752
38399752

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Popular Name: 4-(2-anilino-5-methyl-pyrimidin-4-yl)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxy-ethyl]-1H-pyrrole-2-carbo 4-(2-anilino-5-methyl-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) 3.79 8.6 -19.43 4 7 0 103 431.471 7 ↓

Analogs

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Popular Name: 2-(1H-indazol-5-yl)-N-isopropyl-imidazo[1,2-a]pyrimidin-3-amine 2-(1H-indazol-5-yl)-N-isopropyl-…

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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) 2.37 8.89 -16.56 2 6 0 71 292.346 3 ↓
Lo Low (pH 4.5-6) 2.37 9.13 -48.58 3 6 1 75 293.354 3 ↓

Analogs

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Popular Name: chloro-oxo-(thiazol-5-ylmethylamino)BLAHcarbonitrile chloro-oxo-(thiazol-5-ylmethylam…

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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) 3.15 4.7 -21.1 3 10 0 134 471.93 3 ↓

Analogs

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Popular Name: (4Z)-3-(3-methoxyphenyl)-4-[(4-methoxyphenyl)hydrazono]-1H-pyrazol-5-one (4Z)-3-(3-methoxyphenyl)-4-[(4-m…

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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) 2.92 4.16 -9.37 2 7 0 89 324.34 5 ↓
Hi High (pH 8-9.5) 3.38 2.56 -52.91 1 7 -1 92 323.332 5 ↓

Analogs

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Popular Name: CT-98014 CT-98014

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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) 4.53 11.11 -15.14 3 10 0 137 471.308 8 ↓
Mid Mid (pH 6-8) 4.53 10.98 -43.85 4 10 1 138 472.316 8 ↓

Analogs

3950134
3950134

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Popular Name: Cdk2/9Inhibitor Cdk2/9Inhibitor

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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 -2.06 -14.33 3 8 0 122 328.357 4 ↓

Analogs

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Popular Name: 2-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]-N,N-dimethyl-ethanamine 2-[4-(4-fluorophenyl)-5-(1H-inda…

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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 11.49 -49.77 2 5 1 51 350.421 5 ↓
Hi High (pH 8-9.5) 3.20 9.02 -9.05 1 5 0 50 349.413 5 ↓
Lo Low (pH 4.5-6) 3.20 12.08 -112.4 3 5 2 52 351.429 5 ↓

Analogs

38441613
38441613

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Popular Name: GSK-3InhibitorXIII GSK-3InhibitorXIII

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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) 4.50 9.95 -12.37 2 5 0 66 301.353 3 ↓
Lo Low (pH 4.5-6) 4.50 10.31 -27.16 3 5 1 68 302.361 3 ↓
Lo Low (pH 4.5-6) 4.50 10.28 -29.66 3 5 1 68 302.361 3 ↓