UCSF

ZINC19168741

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2008 10 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) -0.72 1.55 -40.15 4 3 1 56 138.194 3
Mid Mid (pH 6-8) -0.72 0.8 -42.16 4 3 1 53 138.194 3
Mid Mid (pH 6-8) -0.72 1 -6.81 3 3 0 51 137.186 3
Lo Low (pH 4.5-6) -0.72 1.16 -92.04 5 3 2 54 139.202 3

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.