UCSF

ZINC31775954

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 14 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) -0.34 1.73 -45.59 1 6 0 94 192.154 1
Mid Mid (pH 6-8) 1.04 0.03 -98.36 1 6 -2 105 191.146 1
Mid Mid (pH 6-8) 1.04 -0.71 -49.54 2 6 -1 102 192.154 1
Mid Mid (pH 6-8) 0.58 1.83 -47.08 2 6 -1 102 192.154 1
Lo Low (pH 4.5-6) 1.04 0.43 -42.47 2 6 -1 106 192.154 1

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.