UCSF

ZINC59268804

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2011 19 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) 1.24 4.8 -54.39 1 6 -1 91 265.289 5
Lo Low (pH 4.5-6) 1.24 5.25 -49.77 2 6 0 93 266.297 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1996011209A1 IBM Patent Data

Activity (Go SEA)

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

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