UCSF

ZINC57280094

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2011 20 Yes

Popular Name: 1-ethyl-7-(4-ethylpiperazin-1-yl)-3-methyl-pyrazolo[4,3-d]pyrimidine 1-ethyl-7-(4-ethylpiperazin-1-yl…

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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) 1.18 7.94 -43.45 1 6 1 51 275.38 3 ↓
Mid Mid (pH 6-8) 1.18 5.73 -6.36 0 6 0 50 274.372 3 ↓

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

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