UCSF

ZINC03846879

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 11 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) 1.00 1.61 -3.5 0 4 0 59 152.153 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0775691A1; EP0775691B1; US5817827 IBM Patent Data

Activity (Go SEA)

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

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