UCSF

ZINC19370509

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) 0.30 2.46 -20.22 2 2 0 28 130.235 4
Mid Mid (pH 6-8) 0.30 3.04 -113.44 4 2 2 32 132.251 4
Mid Mid (pH 6-8) 0.30 2.75 -26.97 3 2 1 30 131.243 4
Mid Mid (pH 6-8) 0.30 1.03 -35.52 3 2 1 31 131.243 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% )