UCSF

ZINC39500287

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 22 Yes

Popular Name: 2-(3-methyl-1-phenyl-2H-pyrazolo[3,4-d]imidazol-5-yl)phenol 2-(3-methyl-1-phenyl-2H-pyrazolo…

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Annotations

Vendors

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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 8.41 -44.86 2 5 0 71 290.326 2 ↓
Ref Reference (pH 7) 3.32 7.43 -12.24 2 5 0 67 290.326 2 ↓
Hi High (pH 8-9.5) 3.32 8.2 -53.75 1 5 -1 70 289.318 2 ↓
Mid Mid (pH 6-8) 2.87 9.52 -16.43 2 5 0 66 290.326 1 ↓
Lo Low (pH 4.5-6) 3.41 8.91 -12.39 2 5 0 59 291.334 1 ↓
Lo Low (pH 4.5-6) 3.32 9.08 -48.49 3 5 1 72 291.334 2 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.