UCSF

ZINC05978194

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2006 25 Yes

CAS Numbers: 24570-01-2 , 745-65-3

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) 3.36 -2.26 -52.77 2 5 -1 97 353.479 13

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4156016; WO1997034595A1 IBM Patent Data

Activity (Go SEA)

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