UCSF

ZINC71790348

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2012 17 Yes

Other Names:

MFCD20501988

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) 0.63 2.4 -39.06 2 4 1 42 256.395 5
Hi High (pH 8-9.5) 0.63 1.06 -5.34 1 4 0 37 255.387 5

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.