UCSF

ZINC69951261

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 21 Yes

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

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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) 0.52 4.69 -7.34 0 7 0 59 290.371 4 ↓
Mid Mid (pH 6-8) 0.52 6.89 -38.5 1 7 1 61 291.379 4 ↓

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

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