UCSF

ZINC35569709

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 9 Yes

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) -0.48 -1.52 -29.14 4 3 1 60 125.151 1
Hi High (pH 8-9.5) -0.48 -1.94 -6.26 3 3 0 59 124.143 1

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
MP 99 - 101 Enamine Building Blocks
MP 99...101 Enamine Building Blocks

Activity (Go SEA)

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

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