UCSF

ZINC05981534

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2006 11 Yes

Other Names:

MFCD00023542

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) 0.76 4.26 -37.15 2 2 1 29 151.233 4
Lo Low (pH 4.5-6) 0.76 4.54 -96.08 3 2 2 31 152.241 4

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% )