UCSF

ZINC06188243

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2006 11 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) 0.40 2.2 -5.94 3 3 0 55 151.144 0
Ref Reference (pH 7) 0.40 2.15 -8.12 3 3 0 55 151.144 0
Mid Mid (pH 6-8) 0.40 2.28 -31.03 4 3 1 56 152.152 0

Vendor Notes

Note Type Comments Provided By
melting_point 165 - 167 KeyOrganics
MP 165-167° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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