UCSF

ZINC34337219

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 15 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) 0.58 1.9 -28.29 3 3 1 45 208.281 4

Vendor Notes

Note Type Comments Provided By
Purity >95% Matrix Scientific
PUBCHEM_PATENT_ID EP0607374A1; EP0607374B1; US5610310; US5700817; WO1994000447A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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