UCSF

ZINC19678883

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 10 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) -0.09 3.85 -13.86 0 3 0 37 141.17 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0129791A2; US4666902 IBM Patent Data
PUBCHEM_PATENT_ID EP0328090A2; EP0413209A1; EP0882042A1; US5110904; US5300492; US5502035; US5981528; WO1995004541A1; WO1997030995A1 IBM Patent Data

Activity (Go SEA)

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