UCSF

ZINC04657633

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2005 26 No

CAS Numbers: 211238-34-5 , 96036-03-2

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) -0.85 -5.48 -86.45 3 8 0 117 383.47 5

Vendor Notes

Note Type Comments Provided By
Target Antifection Selleck Chemicals
Target Others Selleck Chemicals
PUBCHEM_PATENT_ID US4943569 IBM Patent Data

Activity (Go SEA)

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