UCSF

ZINC78838683

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2012 9 Yes

Other Names:

MFCD01861884

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) 3.44 5.3 -2.91 0 1 0 9 126.199 2

Vendor Notes

Note Type Comments Provided By
Purity 98% Fluorochem
PUBCHEM_PATENT_ID EP0945764A2; US5663383; WO2000026168A1 IBM Patent Data

Activity (Go SEA)

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

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