UCSF

ZINC55504861

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2010 21 Yes

Popular Name: 4-(4-isopentylpiperazin-1-yl)-1-methyl-pyrazolo[3,4-d]pyrimidine 4-(4-isopentylpiperazin-1-yl)-1-…

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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) 1.86 9.31 -43.82 1 6 1 51 289.407 4 ↓
Hi High (pH 8-9.5) 1.86 7.09 -6.37 0 6 0 50 288.399 4 ↓

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

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