UCSF

ZINC11919529

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2008 12 Yes

Other Names:

MFCD08700181

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) -0.31 4.74 -8.2 2 5 0 70 161.168 1
Mid Mid (pH 6-8) -0.31 4.91 -37.4 3 5 1 71 162.176 1

Vendor Notes

Note Type Comments Provided By
MP 110 - 112 Enamine Building Blocks
MP 110...112 Enamine Building Blocks
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.