UCSF

ZINC19171881

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2008 8 No

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) -0.98 -0.18 -35.58 4 3 1 52 117.172 2
Mid Mid (pH 6-8) -0.98 -0.94 -40.49 4 3 1 49 117.172 2
Mid Mid (pH 6-8) -0.98 -0.79 -5.18 3 3 0 47 116.164 2

Vendor Notes

Note Type Comments Provided By
MP 113 - 115 Enamine Building Blocks
MP 113...115 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.