UCSF

ZINC78419465

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2012 17 No

Other Names:

MFCD16556112

Download: MOL2 SDF SMILES Flexibase

Annotations

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) -2.36 3.55 -134.2 2 6 2 74 242.323 4
Hi High (pH 8-9.5) -2.36 3.05 -36.59 1 6 1 70 241.315 4

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0601459A3; US5260307; US5393760; US5405854; US5532232; US5578594; US5583133; US5583146; US5595999; US5677448; US5741792; US5741799; US5763604 IBM Patent Data

Activity (Go SEA)

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

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