UCSF

ZINC01668576

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 16 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) 3.68 3.32 -9.27 0 3 0 35 222.284 5

Vendor Notes

Note Type Comments Provided By
Purity 99% Fluorochem
PUBCHEM_PATENT_ID EP0283294A1; EP0794782A1; US4027065; US4101567; US5045425; US5153090; US5840453; US6008190; WO1992005476A1; WO1996018402A1; WO1997021431A1 IBM Patent Data

Activity (Go SEA)

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