UCSF

ZINC69699822

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 25 Yes

Popular Name: 4-[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methyl-piperazin-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine 4-[(3S)-4-[(1-ethylimidazol-2-yl…

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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) 0.47 8.18 -34.86 1 8 1 69 341.443 4 ↓
Hi High (pH 8-9.5) 0.47 7.78 -11.61 0 8 0 68 340.435 4 ↓

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