UCSF

ZINC05835575

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 30 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) 4.64 14.68 -11.67 0 8 0 105 422.474 16

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0725302A3; EP0922690A1; US5773559 IBM Patent Data

Activity (Go SEA)

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