UCSF

ZINC52603578

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 34 No

Popular Name: N-[[(3S)-3-amino-3H-pyrazolo[3,4-b]pyridin-6-yl]methyl]-2-[(2S)-5-(benzylsulfonylamino)-2-methyl-6-o N-[[(3S)-3-amino-3H-pyrazolo[3,4…

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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) 1.07 0.87 -59.31 5 11 1 161 484.562 8 ↓
Mid Mid (pH 6-8) 1.07 1.27 -121.61 6 11 2 162 485.57 8 ↓
Mid Mid (pH 6-8) 1.07 1.19 -155.36 6 11 2 162 485.57 8 ↓
Lo Low (pH 4.5-6) 1.07 0.25 -32.17 4 11 0 159 483.554 8 ↓
Lo Low (pH 4.5-6) 1.07 0.56 -75.78 5 11 1 161 484.562 8 ↓

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

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