UCSF

ZINC34404827

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 24 No

CAS Number: 54048-10-1

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) 3.88 8.13 -8.06 1 2 0 37 324.464 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5569652; US6136327; WO1994004156A1; WO1998004220A1; WO1999024027A2; WO1999027990A2 IBM Patent Data

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