UCSF

ZINC13212329

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 13 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) 1.43 5.5 -8.33 0 3 0 27 172.187 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1054889A1; WO1999040094A1 IBM Patent Data

Activity (Go SEA)

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

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