UCSF

ZINC59568143

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 23 No

CAS Number: 528-50-7

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) -4.74 -17.86 -12.9 9 11 0 201 342.297 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4623539; US5667773 IBM Patent Data

Activity (Go SEA)

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

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