UCSF

ZINC05003896

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2006 11 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) 3.00 1.32 -4.72 0 1 0 9 170.639 3

Vendor Notes

Note Type Comments Provided By
BP 227-229°/726 Torr Matrix Scientific
MP 230-231° Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO2000026202A1 IBM Patent Data

Activity (Go SEA)

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