UCSF

ZINC13658656

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 21 Yes

Popular Name: 3-(4-chlorophenyl)-1-propyl-3,7-dihydro-1H-purine-2,6-dione 3-(4-chlorophenyl)-1-propyl-3,7-…

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CAS Number: 136145-07-8

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) 2.83 8.9 -11.45 1 6 0 73 304.737 3 ↓

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