UCSF

ZINC05422316

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 13 No

CAS Numbers: 3741-15-9 , 56-57-5

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) 2.13 5.44 -7.64 0 4 0 59 174.159 1
Lo Low (pH 4.5-6) 2.13 5.73 -41.52 1 4 1 60 175.167 1

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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