UCSF

ZINC04899715

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 10 Yes

CAS Numbers: 52661-98-0 , [52661-98-0]

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) -1.76 -5.66 -10.43 3 5 0 78 144.13 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4943578 IBM Patent Data

Activity (Go SEA)

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