UCSF

ZINC34525996

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 23 No

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) 6.32 10.69 -5.86 0 3 0 39 432.532 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0520423A2; EP0520423A3; EP0603712A2; EP0603712A3; US5243054; US5354766; US5438063; US5496835; US5500427; US5583141; US5736555; US6100252 IBM Patent Data

Activity (Go SEA)

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