UCSF

ZINC13704197

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 14 Yes

CAS Number: 5793-89-5

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) -3.34 -3.44 -97.28 4 8 -2 161 208.122 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0273202A2; EP0273202B1; EP0599819A2; EP0599819B1; EP0670677A1; EP0670677B1; EP0769909A1; EP0770399A2; EP0814663A1; EP0837634A1; EP0871425A1; EP0936899A1; EP1009398A1; US3965133; US3969395; US4363815; US5389677; US5422370; US5470880; US5550154; US5550158 IBM Patent Data

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