UCSF

ZINC02517113

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 31 Yes

CAS Numbers: 123417-18-5 , 123417-20-9

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) 3.93 12.76 -55.27 1 7 -1 105 424.473 10

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5508383 IBM Patent Data

Activity (Go SEA)

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

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