UCSF

ZINC53229445

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2010 38 No

Popular Name: Rocuronium bromide Rocuronium bromide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 119302-91-9 , 143558-00-3 , [119302-91-9]

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) 0.73 13.57 -33.89 1 6 1 59 529.786 6 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.84e-05 g/l DrugBank-approved
PUBCHEM_PATENT_ID EP0707853A1; EP0707853B1; EP1025099A1; EP1051181A2; US5756514; US5767112; US5795909; US5808051; US5817803; US5962536; US5985856; US5990124; US6025399; US6090957; WO1997021456A1; WO1997044063A2; WO1998046270A2; WO1998047002A2; WO1999021854A1; WO1999027914A IBM Patent Data

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

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