UCSF

ZINC04173627

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 22 Yes

Popular Name: 8-chloro-7-(4-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 8-chloro-7-(4-fluorobenzyl)-1,3-…

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Other Names:

MFCD01553383

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) 2.82 1.32 -7.56 0 6 0 61 322.727 2 ↓

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