UCSF

ZINC55558801

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2010 25 Yes

Popular Name: 3-methyl-8-[(4-phenylpiperazin-1-yl)methyl]-7H-purine-2,6-dione 3-methyl-8-[(4-phenylpiperazin-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) 0.48 3.97 -10.77 2 8 0 90 340.387 3 ↓
Hi High (pH 8-9.5) 0.94 3.11 -37.74 1 8 -1 93 339.379 3 ↓
Lo Low (pH 4.5-6) 0.94 5.33 -36.14 2 8 0 94 340.387 3 ↓

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Rings

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

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