UCSF

ZINC45375451

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 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) -1.09 -1.3 -4.97 2 5 0 65 188.227 4
Mid Mid (pH 6-8) -1.09 -0.49 -41.97 3 5 1 66 189.235 4
Lo Low (pH 4.5-6) -1.09 1.32 -124.89 4 5 2 68 190.243 4
Lo Low (pH 4.5-6) -1.09 0.94 -36.85 3 5 1 66 189.235 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% )