UCSF

ZINC72190648

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2012 14 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) 1.09 4.94 -8.41 0 4 0 52 182.186 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0541404A2; EP0541404A3; US5639881 IBM Patent Data
PUBCHEM_PATENT_ID US5569658 IBM Patent Data

Activity (Go SEA)

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

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