UCSF

ZINC20074029

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 0.33 3.31 -114.61 4 2 2 32 132.251 3
Hi High (pH 8-9.5) 0.33 1.17 -36.16 3 2 1 31 131.243 3
Mid Mid (pH 6-8) 0.33 3.04 -33.8 3 2 1 30 131.243 3

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% )