UCSF

ZINC42040456

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 12 Yes

Other Names:

MFCD28348263

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) -0.59 -1.48 -75.69 4 5 1 82 169.208 1
Mid Mid (pH 6-8) -0.59 -1.43 -70.81 3 5 0 81 168.2 1
Lo Low (pH 4.5-6) -1.05 0.11 -52.46 4 5 1 78 169.208 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.