UCSF

ZINC59207635

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 41 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) 10.31 27.29 -31.36 2 2 1 25 581.091 36

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5663435 IBM Patent Data

Activity (Go SEA)

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