UCSF

ZINC04217315

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 18 Yes

Popular Name: Ro-221319 Ro-221319

Find On: PubMed — Wikipedia — Google

CAS Number: 83784-19-4

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) 2.55 0.87 -41.79 2 3 1 37 247.362 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0246529A2; US4732902; WO1997044063A2; WO1999030690A1; WO2000050020A2 IBM Patent Data

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