UCSF

ZINC12505727

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 17 No

Other Names:

MFCD09403770

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) 2.56 6.34 -17.43 2 4 0 58 254.717 2
Lo Low (pH 4.5-6) 2.19 3.92 -37.88 3 4 1 63 255.725 3
Lo Low (pH 4.5-6) 2.19 3.27 -15.65 2 4 0 62 254.717 3

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% )