UCSF

ZINC19369225

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 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) -0.02 2.49 -106.56 4 2 2 32 130.235 1
Mid Mid (pH 6-8) -0.02 2.17 -31.69 3 2 1 30 129.227 1
Mid Mid (pH 6-8) -0.02 0.15 -42.15 3 2 1 31 129.227 1

Vendor Notes

Note Type Comments Provided By
BP 155° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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