UCSF

ZINC34334318

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 8 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) 1.27 4.39 -7.9 0 2 0 26 114.144 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0398115A1; EP0398115B1; EP0414112A2; EP0414112B1; EP0546298A2; EP0546298A3; EP0546298B1; EP0992498A1; EP1020467A1; US4859759; US5106408; US5326498; US5393458 IBM Patent Data

Activity (Go SEA)

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