UCSF

ZINC19735354

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 13 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) 0.24 4.78 -119.49 3 3 2 34 181.283 5
Hi High (pH 8-9.5) 0.24 0.94 -3.85 1 3 0 28 179.267 5
Mid Mid (pH 6-8) 0.24 3.46 -38.7 2 3 1 29 180.275 5
Mid Mid (pH 6-8) 0.24 2.31 -44.62 2 3 1 33 180.275 5
Lo Low (pH 4.5-6) 0.24 3.89 -80.44 3 3 2 31 181.283 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% )