UCSF

ZINC06119280

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2006 20 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) -3.47 -12.76 -64.55 8 10 1 166 283.268 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0129284A2; EP0129285A2; EP0129285B1; EP0946525A1; US4537776; US4557934; US6045776; WO1998024775A1 IBM Patent Data

Activity (Go SEA)

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