UCSF

ZINC03824281

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 24 No

Popular Name: CCD-1042 CCD-1042

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CAS Number: 38398-32-2

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) 4.62 8.88 -5.64 1 2 0 37 332.528 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0589034A1; EP0589034B1; US5319115 IBM Patent Data
PUBCHEM_PATENT_ID EP0603312A1; EP1003540A1; EP1019360A1; US5763431; US5877173; US5958919; WO1993005786A1; WO1998005337A1; WO1999066944A1 IBM Patent Data

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