UCSF

ZINC33821395

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 14 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -1.72 -7.28 -8.82 4 6 0 99 206.194 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5506337; US5698685; WO1995031459A1 IBM Patent Data

Activity (Go SEA)

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