UCSF

ZINC19967977

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 20 Yes

Other Names:

MFCD12625424

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) 3.31 6.51 -57.27 3 3 1 46 290.77 2
Mid Mid (pH 6-8) 3.31 6.16 -8.52 2 3 0 44 289.762 2

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% )