UCSF

ZINC02558145

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 21 Yes

CAS Number: 520-17-2

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) 0.87 -9.4 -10.97 5 6 0 110 290.271 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0316797A2; EP0316797B1; US5410096; US6080920; US6129924; WO1996036716A1; WO2000065073A2 IBM Patent Data

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

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