UCSF

ZINC02527291

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 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) 1.55 3.05 -4.89 3 3 0 55 151.213 1
Mid Mid (pH 6-8) 1.55 3.15 -26.37 4 3 1 56 152.221 1
Mid Mid (pH 6-8) 1.55 2.88 -5.4 3 3 0 55 151.213 1
Lo Low (pH 4.5-6) 1.55 3.2 -26.63 4 3 1 56 152.221 1

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% )