UCSF

ZINC37458889

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 12 Yes

Other Names:

MFCD28012235

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) 1.98 5.06 -36.46 2 3 1 43 174.264 6
Mid Mid (pH 6-8) 1.98 3.9 -5.28 1 3 0 38 173.256 6

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.