UCSF

ZINC01764802

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 10 No

CAS Number: 539-47-9

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) 0.80 1.98 -52.14 0 3 -1 53 137.114 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0677039A1; EP0677039B1; US4347255; US4406898; US4439443; US4501739; US4577014; US5783593; WO1995012572A1; WO1996034850A1 IBM Patent Data

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

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