UCSF

ZINC17021060

Substance Information

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

Other Names:

MFCD14816390

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) 1.12 2.33 -38.77 0 6 -1 80 212.192 1
Mid Mid (pH 6-8) 0.67 2.45 -14.16 1 6 0 76 213.2 1

Vendor Notes

Note Type Comments Provided By
MP 144 - 146 Enamine Building Blocks
MP 144...146 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.