UCSF

ZINC00154223

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 14 Yes

Other Names:

MFCD00203034

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.33 3.97 -56.02 2 3 1 42 186.238 0
Lo Low (pH 4.5-6) 1.33 4.25 -91.9 3 3 2 44 187.246 0

Vendor Notes

Note Type Comments Provided By
MP 156-159° (dec.) Fluorochem
Purity 95%+ Fluorochem

Activity (Go SEA)

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

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