UCSF

ZINC36904505

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 17 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) 2.80 8.79 -112.2 3 2 2 21 234.387 5
Mid Mid (pH 6-8) 2.80 6.57 -37.79 2 2 1 20 233.379 5
Mid Mid (pH 6-8) 2.80 7.6 -34.5 2 2 1 16 233.379 5

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% )