UCSF

ZINC79572670

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2012 11 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) 4.22 7.75 -1.67 0 0 0 0 148.249 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4226613 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.