UCSF

ZINC09672628

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2007 19 Yes

Other Names:

MFCD08239611

MFCD08444220

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) 2.32 -2.32 -31.99 3 4 1 56 277.417 2
Lo Low (pH 4.5-6) 2.32 -2.22 -91.49 4 4 2 57 278.425 2
Lo Low (pH 4.5-6) 2.32 -2.21 -98.01 4 4 2 57 278.425 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% )