UCSF

ZINC59613357

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 46 No

CAS Numbers: 872728-81-9 , [872728-81-9]

Other Names:

Pradaxa Mesylate

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) 5.92 15.46 -21.13 2 12 0 140 627.746 18
Lo Low (pH 4.5-6) 5.92 15.88 -49.9 3 12 1 141 628.754 18

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

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