UCSF

ZINC04521394

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 26 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) 2.88 -0.86 -10.07 4 5 0 87 346.386 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0610994B1; EP0773794A1; US5556992; US5773460 IBM Patent Data

Activity (Go SEA)

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