UCSF

ZINC03872640

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 11 Yes

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) -2.09 -9.57 -8.48 5 5 0 101 166.173 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0273202B1; EP0413528A1; EP0413528B1; EP0508324B1; EP0599819A2; EP0599819B1; EP0831767A1 IBM Patent Data

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