UCSF

ZINC04762324

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 16 Yes

Popular Name: H-D-3,4-DMP-OH H-D-3,4-DMP-OH

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CAS Numbers: 32161-30-1 , 33605-56-0 , 55-59-4 , 713513-03-2 , [33605-56-0]

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) -1.58 -1.49 -41.84 3 5 0 86 225.244 5 ↓

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