UCSF

ZINC69772043

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 20 Yes

Popular Name: 2-[4-(3-bromo-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanol 2-[4-(3-bromo-1-methyl-pyrazolo[…

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Download: MOL2 SDF SMILES Flexibase

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) 0.50 2.53 -7.6 1 7 0 70 341.213 3 ↓
Mid Mid (pH 6-8) 0.50 4.82 -38.62 2 7 1 72 342.221 3 ↓

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

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