UCSF

ZINC19736961

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 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) 0.83 5.41 -98.34 3 2 2 21 158.289 5
Hi High (pH 8-9.5) 0.83 3.99 -32.23 2 2 1 16 157.281 5
Mid Mid (pH 6-8) 0.83 2.88 -36.72 2 2 1 20 157.281 5

Vendor Notes

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

Activity (Go SEA)

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