UCSF

ZINC21981888

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 9 Yes

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) 2.40 1.97 -17.33 1 2 0 37 208.442 0
Mid Mid (pH 6-8) 2.40 0.72 -7.53 1 2 0 33 208.442 0
Mid Mid (pH 6-8) 2.40 1.51 -32.02 0 2 -1 36 207.434 0

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.