UCSF

ZINC71790927

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2012 15 Yes

Other Names:

MFCD20731092

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) -0.12 0.04 -38.07 2 4 1 32 214.333 3
Hi High (pH 8-9.5) -0.12 -1.31 -3.06 1 4 0 28 213.325 3
Mid Mid (pH 6-8) -0.12 2.32 -83.74 3 4 2 34 215.341 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% )

No pre-computed analogs available. Try a structural similarity search.