UCSF

ZINC69048737

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2011 13 Yes

Other Names:

MFCD19622483

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) 0.66 1.46 -7.53 2 4 0 65 172.191 1
Mid Mid (pH 6-8) 0.66 1.94 -35.6 3 4 1 66 173.199 1

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.