UCSF

ZINC14982964

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 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) 0.95 2.3 -30.64 0 5 -1 82 139.09 1
Mid Mid (pH 6-8) 0.95 1.57 -10.71 1 5 0 79 140.098 1
Lo Low (pH 4.5-6) 0.95 1.8 -37.83 2 5 1 80 141.106 1
Lo Low (pH 4.5-6) 0.95 2.64 -15.64 1 5 0 83 140.098 1

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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