UCSF

ZINC17837262

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2008 15 No

Other Names:

MFCD00682294

MFCD01207769

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) 2.07 5.5 -19.01 3 3 0 55 237.353 0
Lo Low (pH 4.5-6) 2.79 5.03 -22.94 3 3 1 53 238.361 0
Lo Low (pH 4.5-6) 2.79 0.81 -22.44 3 3 1 53 238.361 0

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% )